SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CB3'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 ILE A  86
LEU A 170
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.78A 1axwA-1ci7A:
37.2		 1axwA-1ci7A:
44.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 12 LYS A  69
ILE A 100
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.6A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.28A 1axwA-2aazA:
undetectable		 1axwA-2aazA:
43.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 LYS A 284
ILE A 315
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.43A 1axwA-2oipA:
39.2		 1axwA-2oipA:
26.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 LYS A 371
ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.68A 1axwA-5t0lA:
38.8		 1axwA-5t0lA:
24.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
VAL A 262
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
None
 1.15A 1axwA-6cdzA:
42.3		 1axwA-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.99A 1axwA-6cdzA:
42.3		 1axwA-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 LYS A  48
ILE A  79
ASP A 169
LEU A 172
GLY A 173
VAL A 262
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
None
 1.26A 1axwA-6cdzA:
42.3		 1axwA-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 LYS A  48
ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.78A 1axwA-6cdzA:
42.3		 1axwA-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 11 ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.71A 1axwB-1ci7A:
37.4		 1axwB-1ci7A:
44.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 11 LYS A  69
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.45A 1axwB-2aazA:
undetectable		 1axwB-2aazA:
43.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 11 LYS A 284
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.49A 1axwB-2oipA:
39.1		 1axwB-2oipA:
26.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 11 LYS A 371
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.69A 1axwB-5t0lA:
38.9		 1axwB-5t0lA:
24.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
VAL A 262
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
None
 1.04A 1axwB-6cdzA:
42.6		 1axwB-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 11 ILE A  79
TRP A  80
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.92A 1axwB-6cdzA:
42.6		 1axwB-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 LYS A  48
ILE A  79
ASP A 169
LEU A 172
GLY A 173
VAL A 262
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
None
 1.09A 1axwB-6cdzA:
42.6		 1axwB-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 11 LYS A  48
ILE A  79
TRP A  80
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.77A 1axwB-6cdzA:
42.6		 1axwB-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 11 ILE A  86
TRP A  87
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.65A 1b02A-1ci7A:
33.6		 1b02A-1ci7A:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 11 ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.43A 1b02A-2aazA:
undetectable		 1b02A-2aazA:
34.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 11 ALA A 287
ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
TYR A 466
ALA A 520
 CB3  A 604 ( 3.2A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.49A 1b02A-2oipA:
34.7		 1b02A-2oipA:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 11 ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.59A 1b02A-5t0lA:
34.7		 1b02A-5t0lA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.83A 1b02A-6cdzA:
34.2		 1b02A-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 PHE A  58
GLU A  65
ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.65A 1hvyA-1ci7A:
12.5		 1hvyA-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 PHE A  58
GLU A  65
ILE A  86
TRP A  87
ASN A  90
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.68A 1hvyA-1ci7A:
12.5		 1hvyA-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 PHE A  58
GLU A  65
ILE A  86
TRP A  87
ASN A  90
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.77A 1hvyA-1ci7A:
12.5		 1hvyA-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 12 PHE A  72
GLU A  79
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.68A 1hvyA-2aazA:
undetectable		 1hvyA-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 12 PHE A  72
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.90A 1hvyA-2aazA:
undetectable		 1hvyA-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 GLU A 294
ILE A 315
TRP A 316
ASN A 319
ASP A 426
LEU A 429
GLY A 430
TYR A 466
MET A 519
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.73A 1hvyA-2oipA:
19.7		 1hvyA-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 GLU A 294
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.69A 1hvyA-2oipA:
19.7		 1hvyA-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
ASN A 319
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 1.11A 1hvyA-2oipA:
19.7		 1hvyA-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.98A 1hvyA-2oipA:
19.7		 1hvyA-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
GLU A 381
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.53A 1hvyA-5t0lA:
19.8		 1hvyA-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.56A 1hvyA-5t0lA:
19.8		 1hvyA-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.47A 1hvyA-6cdzA:
37.6		 1hvyA-6cdzA:
48.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLU A  58
ILE A  79
TRP A  80
LEU A 172
PHE A 176
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.70A 1hvyA-6cdzA:
37.6		 1hvyA-6cdzA:
48.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 GLU A  65
ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.69A 1hvyB-1ci7A:
43.5		 1hvyB-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 GLU A  65
ILE A  86
TRP A  87
ASN A  90
ASP A 202
PHE A 209
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.69A 1hvyB-1ci7A:
43.5		 1hvyB-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 GLU A  65
ILE A  86
TRP A  87
ASN A  90
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.83A 1hvyB-1ci7A:
43.5		 1hvyB-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 12 GLU A  79
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.82A 1hvyB-2aazA:
undetectable		 1hvyB-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 GLU A 294
ILE A 315
ASN A 319
ASP A 426
LEU A 429
GLY A 430
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.74A 1hvyB-2oipA:
44.2		 1hvyB-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 GLU A 294
ILE A 315
TRP A 316
ASN A 319
ASP A 426
GLY A 430
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.69A 1hvyB-2oipA:
44.2		 1hvyB-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 ILE A 315
ASN A 319
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 1.01A 1hvyB-2oipA:
44.2		 1hvyB-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 12 GLU A 381
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.48A 1hvyB-5t0lA:
45.3		 1hvyB-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 12 GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.56A 1hvyB-5t0lA:
45.3		 1hvyB-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.50A 1hvyB-6cdzA:
37.5		 1hvyB-6cdzA:
48.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLU A  58
ILE A  79
TRP A  80
LEU A 172
PHE A 176
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.74A 1hvyB-6cdzA:
37.5		 1hvyB-6cdzA:
48.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		10 / 11 PHE A  58
GLU A  65
ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.73A 1hvyC-1ci7A:
12.6		 1hvyC-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		10 / 11 PHE A  58
GLU A  65
ILE A  86
TRP A  87
ASN A  90
ASP A 202
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.72A 1hvyC-1ci7A:
12.6		 1hvyC-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 11 PHE A  72
GLU A  79
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.72A 1hvyC-2aazA:
undetectable		 1hvyC-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 11 PHE A  72
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.93A 1hvyC-2aazA:
undetectable		 1hvyC-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 11 GLU A 294
ILE A 315
TRP A 316
ASN A 319
ASP A 426
LEU A 429
GLY A 430
TYR A 466
MET A 519
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.74A 1hvyC-2oipA:
19.9		 1hvyC-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 11 ILE A 315
ASN A 319
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 1.11A 1hvyC-2oipA:
19.9		 1hvyC-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 11 PHE A 374
GLU A 381
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.54A 1hvyC-5t0lA:
20.1		 1hvyC-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 11 GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.39A 1hvyC-6cdzA:
37.8		 1hvyC-6cdzA:
48.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 11 GLU A  58
ILE A  79
TRP A  80
LEU A 172
PHE A 176
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.61A 1hvyC-6cdzA:
37.8		 1hvyC-6cdzA:
48.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 GLU A  65
ILE A  86
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.67A 1hvyD-1ci7A:
43.7		 1hvyD-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 GLU A  65
ILE A  86
TRP A  87
ASN A  90
LEU A 170
ASP A 202
LEU A 205
PHE A 209
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.71A 1hvyD-1ci7A:
43.7		 1hvyD-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 GLU A  65
ILE A  86
TRP A  87
ASN A  90
LEU A 170
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.83A 1hvyD-1ci7A:
43.7		 1hvyD-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 12 GLU A  79
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.64A 1hvyD-2aazA:
undetectable		 1hvyD-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 12 ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.90A 1hvyD-2aazA:
undetectable		 1hvyD-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 12 GLU A 294
ILE A 315
TRP A 316
ASN A 319
LEU A 399
ASP A 426
LEU A 429
GLY A 430
TYR A 466
MET A 519
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.74A 1hvyD-2oipA:
44.3		 1hvyD-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 12 GLU A 294
ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.63A 1hvyD-2oipA:
44.3		 1hvyD-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
ASN A 319
LEU A 399
ASP A 426
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 1.19A 1hvyD-2oipA:
44.3		 1hvyD-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
LEU A 399
ASP A 426
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 1.05A 1hvyD-2oipA:
44.3		 1hvyD-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 GLU A 381
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.57A 1hvyD-5t0lA:
45.2		 1hvyD-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.60A 1hvyD-5t0lA:
45.2		 1hvyD-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 12 GLU A  58
ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.75A 1hvyD-6cdzA:
37.6		 1hvyD-6cdzA:
48.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 GLU A  58
ILE A  79
TRP A  80
LEU A 143
LEU A 172
PHE A 176
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.71A 1hvyD-6cdzA:
37.6		 1hvyD-6cdzA:
48.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 9 PHE A  58
GLU A  65
ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.58A 1i00A-1ci7A:
40.9		 1i00A-1ci7A:
61.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 9 GLU A  79
ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.66A 1i00A-2aazA:
undetectable		 1i00A-2aazA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 9 GLU A  79
ILE A 100
TRP A 101
LEU A 222
GLY A 223
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
 0.82A 1i00A-2aazA:
undetectable		 1i00A-2aazA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 9 ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.93A 1i00A-2aazA:
undetectable		 1i00A-2aazA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 9 ILE A 100
TRP A 101
LEU A 222
GLY A 223
PHE A 226
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
 1.15A 1i00A-2aazA:
undetectable		 1i00A-2aazA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 9 PHE A  72
GLU A  79
ILE A 100
ASP A 219
GLY A 223
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.67A 1i00A-2aazA:
undetectable		 1i00A-2aazA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 9 PHE A  72
GLU A  79
ILE A 100
TRP A 101
GLY A 223
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.2A)
 0.80A 1i00A-2aazA:
undetectable		 1i00A-2aazA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 9 PHE A  72
ILE A 100
ASP A 219
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.00A 1i00A-2aazA:
undetectable		 1i00A-2aazA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 9 PHE A  72
ILE A 100
TRP A 101
GLY A 223
PHE A 226
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
 1.21A 1i00A-2aazA:
undetectable		 1i00A-2aazA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		6 / 9 GLU A 294
ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.66A 1i00A-2oipA:
19.7		 1i00A-2oipA:
33.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 9 GLU A 294
ILE A 315
TRP A 316
LEU A 429
GLY A 430
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
 0.76A 1i00A-2oipA:
19.7		 1i00A-2oipA:
33.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		6 / 9 ILE A 315
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 1.07A 1i00A-2oipA:
19.7		 1i00A-2oipA:
33.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 9 ILE A 315
TRP A 316
LEU A 429
GLY A 430
PHE A 433
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
 1.21A 1i00A-2oipA:
19.7		 1i00A-2oipA:
33.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 9 PHE A 374
GLU A 381
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.45A 1i00A-5t0lA:
41.4		 1i00A-5t0lA:
34.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 9 PHE A 374
GLU A 381
ILE A 402
TRP A 403
LEU A 516
GLY A 517
PHE A 520
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
 0.72A 1i00A-5t0lA:
41.4		 1i00A-5t0lA:
34.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 9 GLU A  58
ILE A  79
TRP A  80
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.55A 1i00A-6cdzA:
35.9		 1i00A-6cdzA:
48.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 9 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.63A 1i00B-1ci7A:
40.9		 1i00B-1ci7A:
61.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 9 PHE A  58
ILE A  86
TRP A  87
ASP A 202
PHE A 209
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.74A 1i00B-1ci7A:
40.9		 1i00B-1ci7A:
61.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 9 ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.07A 1i00B-2aazA:
undetectable		 1i00B-2aazA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 9 ILE A 100
TRP A 101
ASP A 219
GLY A 223
ASN A 227
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.80A 1i00B-2aazA:
undetectable		 1i00B-2aazA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 9 PHE A  72
ILE A 100
ASP A 219
GLY A 223
ASN A 227
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.74A 1i00B-2aazA:
undetectable		 1i00B-2aazA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 9 PHE A  72
ILE A 100
ASP A 219
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.11A 1i00B-2aazA:
undetectable		 1i00B-2aazA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 9 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.76A 1i00B-2oipA:
19.5		 1i00B-2oipA:
33.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 9 ILE A 315
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 1.26A 1i00B-2oipA:
19.5		 1i00B-2oipA:
33.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		6 / 9 ILE A 315
TRP A 316
ASP A 426
GLY A 430
ASN A 434
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
 0.77A 1i00B-2oipA:
19.5		 1i00B-2oipA:
33.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 9 PHE A 374
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 0.59A 1i00B-5t0lA:
19.6		 1i00B-5t0lA:
34.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 9 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.45A 1i00B-6cdzA:
22.7		 1i00B-6cdzA:
48.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 11 PHE A  58
ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.76A 1ju6A-1ci7A:
43.3		 1ju6A-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 11 PHE A  58
ILE A  86
TRP A  87
ASN A  90
ASP A 202
LEU A 205
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.81A 1ju6A-1ci7A:
43.3		 1ju6A-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 11 PHE A  72
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.36A 1ju6A-2aazA:
undetectable		 1ju6A-2aazA:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 11 ILE A 315
TRP A 316
ASN A 319
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.57A 1ju6A-2oipA:
44.1		 1ju6A-2oipA:
34.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 11 PHE A 374
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.67A 1ju6A-5t0lA:
44.8		 1ju6A-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.84A 1ju6A-6cdzA:
37.6		 1ju6A-6cdzA:
38.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 9 ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.58A 1ju6B-1ci7A:
43.3		 1ju6B-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 9 ILE A  86
TRP A  87
ASN A  90
ASP A 202
LEU A 205
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.61A 1ju6B-1ci7A:
43.3		 1ju6B-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		5 / 9 LYS A  55
ASN A  90
LEU A 205
TYR A 242
MET A 295
 CB3  A 768 ( 4.9A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 4.4A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 1.15A 1ju6B-1ci7A:
43.3		 1ju6B-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		9 / 9 LYS A  69
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.35A 1ju6B-2aazA:
undetectable		 1ju6B-2aazA:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 9 LYS A 284
ILE A 315
TRP A 316
ASN A 319
ASP A 426
LEU A 429
GLY A 430
TYR A 466
MET A 519
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.48A 1ju6B-2oipA:
44.1		 1ju6B-2oipA:
34.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 9 LYS A 371
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.56A 1ju6B-5t0lA:
44.8		 1ju6B-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 9 LYS A  48
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.72A 1ju6B-6cdzA:
37.6		 1ju6B-6cdzA:
38.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.74A 1ju6C-1ci7A:
43.3		 1ju6C-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 ILE A  86
TRP A  87
ASN A  90
ASP A 202
LEU A 205
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.79A 1ju6C-1ci7A:
43.3		 1ju6C-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		9 / 10 ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.36A 1ju6C-2aazA:
undetectable		 1ju6C-2aazA:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 10 ILE A 315
TRP A 316
ASN A 319
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.57A 1ju6C-2oipA:
44.1		 1ju6C-2oipA:
34.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 10 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.69A 1ju6C-5t0lA:
44.8		 1ju6C-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 10 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.84A 1ju6C-6cdzA:
37.6		 1ju6C-6cdzA:
38.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 11 LYS A  55
PHE A  58
ASN A  90
LEU A 205
TYR A 242
MET A 295
 CB3  A 768 ( 4.9A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 4.4A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 1.12A 1ju6D-1ci7A:
43.3		 1ju6D-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 11 PHE A  58
ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.58A 1ju6D-1ci7A:
43.3		 1ju6D-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 11 PHE A  58
ILE A  86
TRP A  87
ASN A  90
ASP A 202
LEU A 205
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.65A 1ju6D-1ci7A:
43.3		 1ju6D-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 11 LYS A  69
PHE A  72
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.37A 1ju6D-2aazA:
undetectable		 1ju6D-2aazA:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 11 LYS A 284
ILE A 315
TRP A 316
ASN A 319
ASP A 426
LEU A 429
GLY A 430
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.47A 1ju6D-2oipA:
44.2		 1ju6D-2oipA:
34.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 11 LYS A 371
PHE A 374
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
ALA A 609
 CB3  A 703 (-3.2A)
None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.53A 1ju6D-5t0lA:
44.8		 1ju6D-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 LYS A  48
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.72A 1ju6D-6cdzA:
37.6		 1ju6D-6cdzA:
38.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.83A 1jujA-1ci7A:
42.4		 1jujA-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 ILE A  86
TRP A  87
ASN A  90
ASP A 202
LEU A 205
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.89A 1jujA-1ci7A:
42.4		 1jujA-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 10 LYS A  69
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.36A 1jujA-2aazA:
undetectable		 1jujA-2aazA:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 10 LYS A 284
ILE A 315
TRP A 316
ASN A 319
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.53A 1jujA-2oipA:
43.6		 1jujA-2oipA:
34.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.78A 1jujA-5t0lA:
44.1		 1jujA-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 LYS A 371
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.51A 1jujA-5t0lA:
44.1		 1jujA-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 10 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.89A 1jujA-6cdzA:
37.5		 1jujA-6cdzA:
38.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 10 LYS A  48
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.67A 1jujA-6cdzA:
37.5		 1jujA-6cdzA:
38.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.83A 1jujB-1ci7A:
42.3		 1jujB-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 ILE A  86
TRP A  87
ASN A  90
ASP A 202
LEU A 205
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.89A 1jujB-1ci7A:
42.3		 1jujB-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 10 LYS A  69
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.35A 1jujB-2aazA:
undetectable		 1jujB-2aazA:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 10 LYS A 284
ILE A 315
TRP A 316
ASN A 319
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.53A 1jujB-2oipA:
43.5		 1jujB-2oipA:
34.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.78A 1jujB-5t0lA:
44.1		 1jujB-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 LYS A 371
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.52A 1jujB-5t0lA:
44.1		 1jujB-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 10 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.89A 1jujB-6cdzA:
37.5		 1jujB-6cdzA:
38.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 10 LYS A  48
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.67A 1jujB-6cdzA:
37.5		 1jujB-6cdzA:
38.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.83A 1jujC-1ci7A:
42.3		 1jujC-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 ILE A  86
TRP A  87
ASN A  90
ASP A 202
LEU A 205
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.89A 1jujC-1ci7A:
42.3		 1jujC-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 10 LYS A  69
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.35A 1jujC-2aazA:
undetectable		 1jujC-2aazA:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 10 LYS A 284
ILE A 315
TRP A 316
ASN A 319
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.53A 1jujC-2oipA:
43.5		 1jujC-2oipA:
34.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.78A 1jujC-5t0lA:
44.0		 1jujC-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 LYS A 371
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.52A 1jujC-5t0lA:
44.0		 1jujC-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 10 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.89A 1jujC-6cdzA:
37.4		 1jujC-6cdzA:
38.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 10 LYS A  48
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.67A 1jujC-6cdzA:
37.4		 1jujC-6cdzA:
38.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.83A 1jujD-1ci7A:
42.3		 1jujD-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 ILE A  86
TRP A  87
ASN A  90
ASP A 202
LEU A 205
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.89A 1jujD-1ci7A:
42.3		 1jujD-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 10 LYS A  69
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.35A 1jujD-2aazA:
undetectable		 1jujD-2aazA:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 10 LYS A 284
ILE A 315
TRP A 316
ASN A 319
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.53A 1jujD-2oipA:
43.5		 1jujD-2oipA:
34.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.78A 1jujD-5t0lA:
44.1		 1jujD-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 LYS A 371
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.51A 1jujD-5t0lA:
44.1		 1jujD-5t0lA:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 10 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.89A 1jujD-6cdzA:
37.5		 1jujD-6cdzA:
38.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 10 LYS A  48
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.67A 1jujD-6cdzA:
37.5		 1jujD-6cdzA:
38.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 8 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.64A 1rtsA-1ci7A:
41.0		 1rtsA-1ci7A:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 8 ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.70A 1rtsA-2aazA:
undetectable		 1rtsA-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 8 ILE A 100
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.07A 1rtsA-2aazA:
undetectable		 1rtsA-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		4 / 8 ILE A 100
TRP A 101
ASP A 219
GLY A 223
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
 0.80A 1rtsA-2aazA:
undetectable		 1rtsA-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		4 / 8 PHE A  72
ILE A 100
ASP A 219
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 4.3A)
 0.65A 1rtsA-2aazA:
undetectable		 1rtsA-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 8 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.68A 1rtsA-2oipA:
41.4		 1rtsA-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		4 / 8 ILE A 315
TRP A 316
ASP A 426
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.76A 1rtsA-2oipA:
41.4		 1rtsA-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 8 ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.57A 1rtsA-5t0lA:
42.4		 1rtsA-5t0lA:
34.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 8 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.44A 1rtsA-5t0lA:
42.4		 1rtsA-5t0lA:
34.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 8 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.46A 1rtsA-6cdzA:
36.7		 1rtsA-6cdzA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 7 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.57A 1rtsB-1ci7A:
41.7		 1rtsB-1ci7A:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 7 ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.59A 1rtsB-2aazA:
undetectable		 1rtsB-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 7 ILE A 100
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.06A 1rtsB-2aazA:
undetectable		 1rtsB-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 7 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.56A 1rtsB-2oipA:
42.2		 1rtsB-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 7 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.31A 1rtsB-5t0lA:
43.3		 1rtsB-5t0lA:
34.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 7 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.33A 1rtsB-6cdzA:
37.3		 1rtsB-6cdzA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 ILE A  86
TRP A  87
LEU A 170
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 1.00A 1tlsA-1ci7A:
37.3		 1tlsA-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 ILE A 100
TRP A 101
LEU A 184
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.29A 1tlsA-2aazA:
undetectable		 1tlsA-2aazA:
43.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
TRP A 316
LEU A 399
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.50A 1tlsA-2oipA:
39.3		 1tlsA-2oipA:
26.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
TRP A 403
LEU A 486
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.83A 1tlsA-5t0lA:
39.0		 1tlsA-5t0lA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
ILE A  79
LEU A 143
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.14A 1tlsA-6cdzA:
41.9		 1tlsA-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
ILE A  79
LEU A 172
GLY A 173
PHE A 176
VAL A 262
 None
CB3  A 701 (-3.9A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
None
 1.37A 1tlsA-6cdzA:
41.9		 1tlsA-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
ILE A  79
TRP A  80
LEU A 143
LEU A 172
GLY A 173
PHE A 176
 None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
 1.11A 1tlsA-6cdzA:
41.9		 1tlsA-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 ILE A  86
TRP A  87
LEU A 170
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.97A 1tlsB-1ci7A:
37.6		 1tlsB-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 ILE A 100
TRP A 101
LEU A 184
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.32A 1tlsB-2aazA:
undetectable		 1tlsB-2aazA:
43.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
TRP A 316
LEU A 399
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.56A 1tlsB-2oipA:
39.4		 1tlsB-2oipA:
26.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
TRP A 403
LEU A 486
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.75A 1tlsB-5t0lA:
39.1		 1tlsB-5t0lA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
ILE A  79
LEU A 143
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.08A 1tlsB-6cdzA:
42.0		 1tlsB-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
ILE A  79
LEU A 172
GLY A 173
PHE A 176
VAL A 262
 None
CB3  A 701 (-3.9A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
None
 1.23A 1tlsB-6cdzA:
42.0		 1tlsB-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
ILE A  79
TRP A  80
LEU A 143
PHE A 176
 None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.8A)
 0.84A 1tlsB-6cdzA:
42.0		 1tlsB-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 ILE A  86
TRP A  87
LEU A 170
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.94A 1tsnA-1ci7A:
37.5		 1tsnA-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 ILE A 100
TRP A 101
LEU A 184
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.27A 1tsnA-2aazA:
undetectable		 1tsnA-2aazA:
43.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
TRP A 316
LEU A 399
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.42A 1tsnA-2oipA:
39.2		 1tsnA-2oipA:
26.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
TRP A 403
LEU A 486
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.80A 1tsnA-5t0lA:
39.0		 1tsnA-5t0lA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
ILE A  79
LEU A 143
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.09A 1tsnA-6cdzA:
41.9		 1tsnA-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
ILE A  79
LEU A 172
GLY A 173
PHE A 176
VAL A 262
 None
CB3  A 701 (-3.9A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
None
 1.32A 1tsnA-6cdzA:
41.9		 1tsnA-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
ILE A  79
TRP A  80
LEU A 143
LEU A 172
GLY A 173
PHE A 176
 None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
 1.07A 1tsnA-6cdzA:
41.9		 1tsnA-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 12 GLU A  65
TRP A  87
LEU A 170
ASP A 202
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.82A 2kceA-1ci7A:
37.4		 2kceA-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 12 TRP A  87
LEU A 170
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 1.12A 2kceA-1ci7A:
37.4		 2kceA-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 GLU A  79
TRP A 101
LEU A 184
ASP A 219
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.34A 2kceA-2aazA:
undetectable		 2kceA-2aazA:
43.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 GLU A 294
TRP A 316
LEU A 399
ASP A 426
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.53A 2kceA-2oipA:
39.3		 2kceA-2oipA:
26.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 GLU A 381
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.47A 2kceA-5t0lA:
38.9		 2kceA-5t0lA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 12 LEU A 486
ASP A 513
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.91A 2kceA-5t0lA:
38.9		 2kceA-5t0lA:
24.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
GLU A  58
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.79A 2kceA-6cdzA:
42.1		 2kceA-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.23A 2kceA-6cdzA:
42.1		 2kceA-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 TRP A  87
LEU A 170
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.75A 2kceB-1ci7A:
37.6		 2kceB-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.57A 2kceB-2aazA:
undetectable		 2kceB-2aazA:
43.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		7 / 12 LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.72A 2kceB-2oipA:
39.3		 2kceB-2oipA:
26.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		7 / 12 TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
TYR A 466
ALA A 520
 CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.40A 2kceB-2oipA:
39.3		 2kceB-2oipA:
26.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.52A 2kceB-5t0lA:
39.1		 2kceB-5t0lA:
24.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.58A 2kceB-6cdzA:
42.3		 2kceB-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
ASP A 169
LEU A 172
GLY A 173
PHE A 176
VAL A 262
 None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
None
 1.11A 2kceB-6cdzA:
42.3		 2kceB-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
LEU A 143
ASP A 169
LEU A 172
GLY A 173
PHE A 176
 None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
 0.85A 2kceB-6cdzA:
42.3		 2kceB-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
TRP A  80
LEU A 143
LEU A 172
PHE A 176
 None
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.83A 2kceB-6cdzA:
42.3		 2kceB-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 7 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.58A 2tsrA-1ci7A:
41.0		 2tsrA-1ci7A:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 7 ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.69A 2tsrA-2aazA:
undetectable		 2tsrA-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 7 ILE A 100
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.02A 2tsrA-2aazA:
undetectable		 2tsrA-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 7 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.70A 2tsrA-2oipA:
41.4		 2tsrA-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 7 ARG A 603
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
 0.94A 2tsrA-5t0lA:
42.3		 2tsrA-5t0lA:
34.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 7 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.44A 2tsrA-5t0lA:
42.3		 2tsrA-5t0lA:
34.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 7 ILE A  79
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.33A 2tsrA-6cdzA:
37.0		 2tsrA-6cdzA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 7 ILE A  79
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.48A 2tsrA-6cdzA:
37.0		 2tsrA-6cdzA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 8 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.55A 2tsrB-1ci7A:
41.6		 2tsrB-1ci7A:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		5 / 8 ILE A  86
TRP A  87
ASP A 202
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.79A 2tsrB-1ci7A:
41.6		 2tsrB-1ci7A:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 8 ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.81A 2tsrB-2aazA:
undetectable		 2tsrB-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 8 ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.72A 2tsrB-2aazA:
undetectable		 2tsrB-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 8 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.58A 2tsrB-2oipA:
42.0		 2tsrB-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 8 ILE A 315
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.99A 2tsrB-2oipA:
42.0		 2tsrB-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 8 ILE A 315
TRP A 316
ASP A 426
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.66A 2tsrB-2oipA:
42.0		 2tsrB-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 PHE A  58
GLU A  65
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.51A 2tsrC-1ci7A:
41.0		 2tsrC-1ci7A:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 10 PHE A  58
GLU A  65
ILE A  86
TRP A  87
ASP A 202
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.64A 2tsrC-1ci7A:
41.0		 2tsrC-1ci7A:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 10 GLU A  79
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.76A 2tsrC-2aazA:
undetectable		 2tsrC-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 10 ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.89A 2tsrC-2aazA:
undetectable		 2tsrC-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 10 PHE A  72
GLU A  79
ILE A 100
TRP A 101
ASP A 219
GLY A 223
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.80A 2tsrC-2aazA:
undetectable		 2tsrC-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 10 PHE A  72
ILE A 100
ASP A 219
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.98A 2tsrC-2aazA:
undetectable		 2tsrC-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		7 / 10 GLU A 294
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.73A 2tsrC-2oipA:
41.2		 2tsrC-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 10 ILE A 315
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 1.07A 2tsrC-2oipA:
41.2		 2tsrC-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 10 ARG A 603
PHE A 374
GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.2A)
None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.81A 2tsrC-5t0lA:
42.2		 2tsrC-5t0lA:
34.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 10 GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.54A 2tsrC-6cdzA:
36.7		 2tsrC-6cdzA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 10 GLU A  58
ILE A  79
TRP A  80
LEU A 172
PHE A 176
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.78A 2tsrC-6cdzA:
36.7		 2tsrC-6cdzA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 9 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.58A 2tsrD-1ci7A:
41.2		 2tsrD-1ci7A:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 9 PHE A  58
ILE A  86
ASP A 202
LEU A 205
PHE A 209
TYR A 242
THR A 290
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
None
 0.79A 2tsrD-1ci7A:
41.2		 2tsrD-1ci7A:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 9 PHE A  58
ILE A  86
TRP A  87
ASP A 202
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.69A 2tsrD-1ci7A:
41.2		 2tsrD-1ci7A:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 9 PHE A  72
ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.97A 2tsrD-2aazA:
undetectable		 2tsrD-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 9 PHE A  72
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.77A 2tsrD-2aazA:
undetectable		 2tsrD-2aazA:
59.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		6 / 9 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
THR A 514
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
None
 0.80A 2tsrD-2oipA:
19.6		 2tsrD-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 9 ILE A 315
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 1.12A 2tsrD-2oipA:
19.6		 2tsrD-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 9 ILE A 315
TRP A 316
ASP A 426
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.63A 2tsrD-2oipA:
19.6		 2tsrD-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 9 PHE A 374
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.45A 2tsrD-5t0lA:
19.7		 2tsrD-5t0lA:
34.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 9 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.46A 2tsrD-6cdzA:
23.5		 2tsrD-6cdzA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 9 ILE A  79
TRP A  80
ASP A 169
LEU A 172
PHE A 176
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.81A 2tsrD-6cdzA:
23.5		 2tsrD-6cdzA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 GLU A  65
ILE A  86
TRP A  87
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.80A 3k2hA-1ci7A:
0.0		 3k2hA-1ci7A:
32.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 ILE A  86
TRP A  87
LEU A 170
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 1.04A 3k2hA-1ci7A:
0.0		 3k2hA-1ci7A:
32.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 12 GLU A  79
ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.29A 3k2hA-2aazA:
undetectable		 3k2hA-2aazA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		11 / 12 ALA A 287
GLU A 294
ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 3.2A)
CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.51A 3k2hA-2oipA:
43.6		 3k2hA-2oipA:
46.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.59A 3k2hA-5t0lA:
45.9		 3k2hA-5t0lA:
42.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.88A 3k2hA-5t0lA:
45.9		 3k2hA-5t0lA:
42.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
GLU A  58
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.81A 3k2hA-6cdzA:
36.5		 3k2hA-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
GLU A  58
ILE A  79
ASP A 169
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.74A 3k2hA-6cdzA:
36.5		 3k2hA-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
GLU A  58
ILE A  79
LEU A 143
ASP A 169
GLY A 173
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
 0.84A 3k2hA-6cdzA:
36.5		 3k2hA-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  80
LEU A 143
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
 0.42A 3k2hA-6cdzA:
36.5		 3k2hA-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
GLU A  58
LEU A 143
ASP A 169
LEU A 172
GLY A 173
 None
CB3  A 701 ( 4.3A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
 0.94A 3k2hA-6cdzA:
36.5		 3k2hA-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
ILE A  79
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.06A 3k2hA-6cdzA:
36.5		 3k2hA-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
ILE A  79
LEU A 143
GLY A 173
PHE A 176
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
 1.09A 3k2hA-6cdzA:
36.5		 3k2hA-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
ILE A  79
TRP A  80
LEU A 143
PHE A 176
 None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.8A)
 0.80A 3k2hA-6cdzA:
36.5		 3k2hA-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.13A 3k2hA-6cdzA:
36.5		 3k2hA-6cdzA:
15.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 GLU A  65
ILE A  86
TRP A  87
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.79A 3k2hB-1ci7A:
12.6		 3k2hB-1ci7A:
32.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 ILE A  86
LEU A 170
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 1.01A 3k2hB-1ci7A:
12.6		 3k2hB-1ci7A:
32.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 12 GLU A  79
ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.30A 3k2hB-2aazA:
undetectable		 3k2hB-2aazA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		11 / 12 ALA A 287
GLU A 294
ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 3.2A)
CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.51A 3k2hB-2oipA:
44.1		 3k2hB-2oipA:
46.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.62A 3k2hB-5t0lA:
45.8		 3k2hB-5t0lA:
42.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.90A 3k2hB-5t0lA:
45.8		 3k2hB-5t0lA:
42.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
GLU A  58
ILE A  79
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.88A 3k2hB-6cdzA:
37.0		 3k2hB-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  80
LEU A 143
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
 0.42A 3k2hB-6cdzA:
37.0		 3k2hB-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
GLU A  58
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.93A 3k2hB-6cdzA:
37.0		 3k2hB-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
ILE A  79
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.12A 3k2hB-6cdzA:
37.0		 3k2hB-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
ILE A  79
TRP A  80
LEU A 143
PHE A 176
 None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.8A)
 0.81A 3k2hB-6cdzA:
37.0		 3k2hB-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
LEU A 143
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.16A 3k2hB-6cdzA:
37.0		 3k2hB-6cdzA:
15.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 GLU A  65
ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
TYR A 242
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.68A 3nrrA-1ci7A:
14.5		 3nrrA-1ci7A:
32.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 GLU A  65
ILE A  86
TRP A  87
ASN A  90
ASP A 202
TYR A 242
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.57A 3nrrA-1ci7A:
14.5		 3nrrA-1ci7A:
32.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.94A 3nrrA-1ci7A:
14.5		 3nrrA-1ci7A:
32.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 ILE A  86
TRP A  87
ASN A  90
ASP A 202
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.96A 3nrrA-1ci7A:
14.5		 3nrrA-1ci7A:
32.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 12 GLU A  79
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.47A 3nrrA-2aazA:
undetectable		 3nrrA-2aazA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		11 / 12 ALA A 287
GLU A 294
ILE A 315
TRP A 316
ASN A 319
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 3.2A)
CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.56A 3nrrA-2oipA:
44.4		 3nrrA-2oipA:
46.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 GLU A 381
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.42A 3nrrA-5t0lA:
undetectable		 3nrrA-5t0lA:
42.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.77A 3nrrA-5t0lA:
undetectable		 3nrrA-5t0lA:
42.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.58A 3nrrA-6cdzA:
undetectable		 3nrrA-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  80
LEU A 172
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
 0.75A 3nrrA-6cdzA:
undetectable		 3nrrA-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.94A 3nrrA-6cdzA:
undetectable		 3nrrA-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
ILE A  79
TRP A  80
LEU A 172
PHE A 176
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 1.12A 3nrrA-6cdzA:
undetectable		 3nrrA-6cdzA:
15.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 GLU A  65
ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
TYR A 242
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.69A 3nrrB-1ci7A:
14.3		 3nrrB-1ci7A:
32.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 GLU A  65
ILE A  86
TRP A  87
ASN A  90
ASP A 202
TYR A 242
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.57A 3nrrB-1ci7A:
14.3		 3nrrB-1ci7A:
32.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 ILE A  86
ASN A  90
ASP A 202
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.92A 3nrrB-1ci7A:
14.3		 3nrrB-1ci7A:
32.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 ILE A  86
TRP A  87
ASN A  90
ASP A 202
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.98A 3nrrB-1ci7A:
14.3		 3nrrB-1ci7A:
32.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 12 GLU A  79
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.49A 3nrrB-2aazA:
undetectable		 3nrrB-2aazA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 12 ALA A 287
GLU A 294
ILE A 315
ASN A 319
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 3.2A)
CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.54A 3nrrB-2oipA:
44.3		 3nrrB-2oipA:
46.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 12 ALA A 287
GLU A 294
ILE A 315
TRP A 316
ASN A 319
ASP A 426
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 3.2A)
CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.52A 3nrrB-2oipA:
44.3		 3nrrB-2oipA:
46.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 GLU A 381
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.42A 3nrrB-5t0lA:
undetectable		 3nrrB-5t0lA:
42.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.79A 3nrrB-5t0lA:
undetectable		 3nrrB-5t0lA:
42.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.57A 3nrrB-6cdzA:
undetectable		 3nrrB-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  80
LEU A 172
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
 0.76A 3nrrB-6cdzA:
undetectable		 3nrrB-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.94A 3nrrB-6cdzA:
undetectable		 3nrrB-6cdzA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
ILE A  79
TRP A  80
LEU A 172
PHE A 176
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 1.14A 3nrrB-6cdzA:
undetectable		 3nrrB-6cdzA:
15.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 12 ILE A  86
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 1.01A 3uwlB-1ci7A:
37.4		 3uwlB-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 ILE A  86
TRP A  87
LEU A 170
HIS A 174
LEU A 205
GLY A 206
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
None
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.81A 3uwlB-1ci7A:
37.4		 3uwlB-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		9 / 12 ILE A 100
TRP A 101
LEU A 184
HIS A 188
LEU A 222
GLY A 223
PHE A 226
ASN A 227
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
UMP  A 350 (-4.2A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.46A 3uwlB-2aazA:
undetectable		 3uwlB-2aazA:
41.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 12 ILE A 315
TRP A 316
LEU A 399
HIS A 403
LEU A 429
GLY A 430
PHE A 433
ASN A 434
TYR A 466
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
UMP  A 603 ( 4.4A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.57A 3uwlB-2oipA:
39.0		 3uwlB-2oipA:
27.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		5 / 12 LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
 CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.95A 3uwlD-1ci7A:
36.5		 3uwlD-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 TRP A  87
LEU A 170
HIS A 174
LEU A 205
GLY A 206
ASN A 210
TYR A 242
 None
UMP  A 767 (-4.7A)
None
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.82A 3uwlD-1ci7A:
36.5		 3uwlD-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 12 TRP A 101
LEU A 184
HIS A 188
LEU A 222
GLY A 223
PHE A 226
ASN A 227
TYR A 259
 CB3  A2351 (-3.7A)
None
UMP  A 350 (-4.2A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.53A 3uwlD-2aazA:
undetectable		 3uwlD-2aazA:
41.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 TRP A 316
LEU A 399
HIS A 403
LEU A 429
GLY A 430
PHE A 433
ASN A 434
TYR A 466
ALA A 520
 CB3  A 604 ( 4.4A)
None
UMP  A 603 ( 4.4A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.58A 3uwlD-2oipA:
38.0		 3uwlD-2oipA:
27.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 LEU A 486
HIS A 490
LEU A 516
GLY A 517
ASN A 521
TYR A 553
ALA A 609
 UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.72A 3uwlD-5t0lA:
37.8		 3uwlD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 LEU A 486
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
ALA A 609
 UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 1.15A 3uwlD-5t0lA:
37.8		 3uwlD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 TRP A 403
LEU A 486
HIS A 490
GLY A 517
ASN A 521
TYR A 553
ALA A 609
 CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.69A 3uwlD-5t0lA:
37.8		 3uwlD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 HIS A 147
LEU A 172
GLY A 173
ASN A 177
TYR A 209
 UMP  A 702 (-4.3A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.84A 3uwlD-6cdzA:
37.6		 3uwlD-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 TRP A  80
LEU A 143
HIS A 147
LEU A 172
GLY A 173
ASN A 177
 None
None
UMP  A 702 (-4.3A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.84A 3uwlD-6cdzA:
37.6		 3uwlD-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.66A 4eb4A-1ci7A:
43.0		 4eb4A-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 PHE A  58
ILE A  86
TRP A  87
ASP A 202
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.64A 4eb4A-1ci7A:
43.0		 4eb4A-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.88A 4eb4A-2aazA:
undetectable		 4eb4A-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 ILE A 100
TRP A 101
ASP A 219
GLY A 223
ASN A 227
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.52A 4eb4A-2aazA:
undetectable		 4eb4A-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.60A 4eb4A-2aazA:
undetectable		 4eb4A-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 PHE A  72
ILE A 100
ASP A 219
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.93A 4eb4A-2aazA:
undetectable		 4eb4A-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 PHE A  72
ILE A 100
TRP A 101
ASP A 219
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.61A 4eb4A-2aazA:
undetectable		 4eb4A-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
ASP A 426
GLY A 430
PHE A 433
ASN A 434
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 1.01A 4eb4A-2oipA:
43.9		 4eb4A-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.97A 4eb4A-2oipA:
43.9		 4eb4A-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		7 / 12 ILE A 315
TRP A 316
ASP A 426
GLY A 430
ASN A 434
LYS A 516
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
None
CB3  A 604 ( 3.5A)
 0.74A 4eb4A-2oipA:
43.9		 4eb4A-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
TRP A 316
ASP A 426
GLY A 430
ASN A 434
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.52A 4eb4A-2oipA:
43.9		 4eb4A-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.37A 4eb4A-5t0lA:
44.6		 4eb4A-5t0lA:
35.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 12 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
LYS A 259
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
None
 0.53A 4eb4A-6cdzA:
37.1		 4eb4A-6cdzA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.68A 4eb4B-1ci7A:
42.9		 4eb4B-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 PHE A  58
ILE A  86
TRP A  87
ASP A 202
GLY A 206
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.68A 4eb4B-1ci7A:
42.9		 4eb4B-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 ILE A 100
TRP A 101
ASP A 219
GLY A 223
ASN A 227
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.51A 4eb4B-2aazA:
undetectable		 4eb4B-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 12 PHE A  72
ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.94A 4eb4B-2aazA:
undetectable		 4eb4B-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 12 PHE A  72
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.70A 4eb4B-2aazA:
undetectable		 4eb4B-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
ASP A 426
GLY A 430
PHE A 433
ASN A 434
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.98A 4eb4B-2oipA:
43.8		 4eb4B-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.95A 4eb4B-2oipA:
43.8		 4eb4B-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		7 / 12 ILE A 315
TRP A 316
ASP A 426
GLY A 430
ASN A 434
LYS A 516
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
None
CB3  A 604 ( 3.5A)
 0.74A 4eb4B-2oipA:
43.8		 4eb4B-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
TRP A 316
ASP A 426
GLY A 430
ASN A 434
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.52A 4eb4B-2oipA:
43.8		 4eb4B-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.37A 4eb4B-5t0lA:
44.6		 4eb4B-5t0lA:
35.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 12 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
LYS A 259
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
None
 0.56A 4eb4B-6cdzA:
37.1		 4eb4B-6cdzA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 9 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.67A 4eb4C-1ci7A:
40.4		 4eb4C-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 9 PHE A  72
ILE A 100
ASP A 219
GLY A 223
ASN A 227
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.71A 4eb4C-2aazA:
undetectable		 4eb4C-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 9 PHE A  72
ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.79A 4eb4C-2aazA:
undetectable		 4eb4C-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 9 PHE A  72
ILE A 100
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.12A 4eb4C-2aazA:
undetectable		 4eb4C-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 9 ILE A 315
ASP A 426
GLY A 430
ASN A 434
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
 0.56A 4eb4C-2oipA:
40.6		 4eb4C-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 9 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.78A 4eb4C-2oipA:
40.6		 4eb4C-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 9 ILE A 315
GLY A 430
PHE A 433
ASN A 434
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
 1.34A 4eb4C-2oipA:
40.6		 4eb4C-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 9 ILE A 315
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 1.26A 4eb4C-2oipA:
40.6		 4eb4C-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 9 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 0.47A 4eb4C-5t0lA:
41.5		 4eb4C-5t0lA:
35.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 9 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.50A 4eb4C-6cdzA:
36.3		 4eb4C-6cdzA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.60A 4eb4D-1ci7A:
41.5		 4eb4D-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 PHE A  58
ILE A  86
TRP A  87
ASP A 202
GLY A 206
PHE A 209
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.65A 4eb4D-1ci7A:
41.5		 4eb4D-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 10 ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.99A 4eb4D-2aazA:
undetectable		 4eb4D-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 10 ILE A 100
TRP A 101
ASP A 219
GLY A 223
ASN A 227
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.67A 4eb4D-2aazA:
undetectable		 4eb4D-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 10 ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.76A 4eb4D-2aazA:
undetectable		 4eb4D-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 10 PHE A  72
ILE A 100
ASP A 219
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.06A 4eb4D-2aazA:
undetectable		 4eb4D-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 10 ASP A 426
GLY A 430
ASN A 434
TYR A 466
LYS A 516
 CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
None
 1.00A 4eb4D-2oipA:
42.1		 4eb4D-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 10 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.66A 4eb4D-2oipA:
42.1		 4eb4D-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 10 ILE A 315
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 1.19A 4eb4D-2oipA:
42.1		 4eb4D-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		6 / 10 ILE A 315
TRP A 316
ASP A 426
GLY A 430
ASN A 434
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
 0.62A 4eb4D-2oipA:
42.1		 4eb4D-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 PHE A 374
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 0.46A 4eb4D-5t0lA:
42.9		 4eb4D-5t0lA:
35.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 10 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
LYS A 259
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
None
 0.81A 4eb4D-6cdzA:
37.0		 4eb4D-6cdzA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 10 ILE A  79
TRP A  80
ASP A 169
PHE A 176
ASN A 177
TYR A 209
LYS A 259
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
None
 0.94A 4eb4D-6cdzA:
37.0		 4eb4D-6cdzA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 11 ILE A  86
LEU A 170
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.83A 4fogA-1ci7A:
36.3		 4fogA-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 11 ILE A  86
TRP A  87
LEU A 170
ASP A 202
GLY A 206
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.47A 4fogA-1ci7A:
36.3		 4fogA-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 11 LYS A  69
ILE A 100
TRP A 101
LEU A 184
ASP A 219
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.47A 4fogA-2aazA:
undetectable		 4fogA-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 11 LYS A 284
ILE A 315
TRP A 316
LEU A 399
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.41A 4fogA-2oipA:
37.7		 4fogA-2oipA:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 11 ILE A 402
LEU A 486
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.78A 4fogA-5t0lA:
37.3		 4fogA-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 11 LYS A 371
ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.45A 4fogA-5t0lA:
37.3		 4fogA-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 11 LYS A  48
SER A  54
ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.63A 4fogA-6cdzA:
40.0		 4fogA-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 11 SER A  54
ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.91A 4fogA-6cdzA:
40.0		 4fogA-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		5 / 11 ILE A  86
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.90A 4fogC-1ci7A:
37.0		 4fogC-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 11 ILE A  86
TRP A  87
LEU A 170
ASP A 202
GLY A 206
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.71A 4fogC-1ci7A:
37.0		 4fogC-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 11 ILE A 100
TRP A 101
LEU A 184
ASP A 219
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.42A 4fogC-2aazA:
undetectable		 4fogC-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		7 / 11 ILE A 315
TRP A 316
LEU A 399
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.43A 4fogC-2oipA:
38.3		 4fogC-2oipA:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 11 ILE A 402
LEU A 486
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.98A 4fogC-5t0lA:
38.3		 4fogC-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 11 ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.62A 4fogC-5t0lA:
38.3		 4fogC-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 SER A  54
ILE A  79
ASP A 169
GLY A 173
PHE A 176
VAL A 262
 None
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
None
 1.23A 4fogC-6cdzA:
40.8		 4fogC-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 11 SER A  54
ILE A  79
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 None
CB3  A 701 (-3.9A)
None
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.86A 4fogC-6cdzA:
40.8		 4fogC-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 11 SER A  54
ILE A  79
TRP A  83
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.04A 4fogC-6cdzA:
40.8		 4fogC-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 11 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.78A 4fogD-1ci7A:
37.8		 4fogD-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 11 ILE A  86
TRP A  87
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.70A 4fogD-1ci7A:
37.8		 4fogD-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		9 / 11 LYS A  69
ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.44A 4fogD-2aazA:
undetectable		 4fogD-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 11 LYS A 284
ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.45A 4fogD-2oipA:
39.3		 4fogD-2oipA:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 11 ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.83A 4fogD-5t0lA:
38.8		 4fogD-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 11 LYS A 371
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.58A 4fogD-5t0lA:
38.8		 4fogD-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 11 ILE A  79
TRP A  80
TRP A  83
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.02A 4fogD-6cdzA:
40.4		 4fogD-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 11 LYS A  48
ILE A  79
TRP A  80
TRP A  83
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.85A 4fogD-6cdzA:
40.4		 4fogD-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 11 LYS A  48
TRP A  80
TRP A  83
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
None
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.87A 4fogD-6cdzA:
40.4		 4fogD-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 LYS A  48
TRP A  83
LEU A 143
ASP A 169
GLY A 173
ALA A 263
 CB3  A 701 ( 4.8A)
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.4A)
 1.49A 4fogD-6cdzA:
40.4		 4fogD-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 GLU A  65
ILE A  86
TRP A  87
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.78A 4foxA-1ci7A:
36.5		 4foxA-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 1.01A 4foxA-1ci7A:
36.5		 4foxA-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		9 / 12 GLU A  79
ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.34A 4foxA-2aazA:
undetectable		 4foxA-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 GLU A 294
ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.51A 4foxA-2oipA:
38.0		 4foxA-2oipA:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.46A 4foxA-5t0lA:
37.6		 4foxA-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.83A 4foxA-5t0lA:
37.6		 4foxA-5t0lA:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  80
TRP A  83
LEU A 143
LEU A 172
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
None
CB3  A 701 (-3.5A)
 0.65A 4foxA-6cdzA:
40.2		 4foxA-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		9 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  83
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.73A 4foxA-6cdzA:
40.2		 4foxA-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
ILE A  79
TRP A  80
TRP A  83
LEU A 172
PHE A 176
 None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.99A 4foxA-6cdzA:
40.2		 4foxA-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 12 SER A  54
ILE A  79
TRP A  83
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.92A 4foxA-6cdzA:
40.2		 4foxA-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 GLU A  65
ILE A  86
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.70A 4foxB-1ci7A:
36.6		 4foxB-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 GLU A  65
ILE A  86
TRP A  87
LEU A 170
ASP A 202
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.65A 4foxB-1ci7A:
36.6		 4foxB-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 12 ILE A  86
LEU A 170
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 1.05A 4foxB-1ci7A:
36.6		 4foxB-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		9 / 12 GLU A  79
ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.41A 4foxB-2aazA:
undetectable		 4foxB-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 GLU A 294
ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.49A 4foxB-2oipA:
37.9		 4foxB-2oipA:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.43A 4foxB-5t0lA:
37.7		 4foxB-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.92A 4foxB-5t0lA:
37.7		 4foxB-5t0lA:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 12 SER A  54
GLU A  58
ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.69A 4foxB-6cdzA:
40.1		 4foxB-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  80
LEU A 143
LEU A 172
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
 0.62A 4foxB-6cdzA:
40.1		 4foxB-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 12 SER A  54
ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.07A 4foxB-6cdzA:
40.1		 4foxB-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
ILE A  79
TRP A  80
LEU A 143
LEU A 172
PHE A 176
 None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 1.06A 4foxB-6cdzA:
40.1		 4foxB-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 11 GLU A  65
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.84A 4foxC-1ci7A:
36.3		 4foxC-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 11 GLU A  65
TRP A  87
LEU A 170
ASP A 202
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.82A 4foxC-1ci7A:
36.3		 4foxC-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 11 LEU A 170
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 1.07A 4foxC-1ci7A:
36.3		 4foxC-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 11 TRP A  87
LEU A 170
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 1.10A 4foxC-1ci7A:
36.3		 4foxC-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 11 GLU A  79
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.43A 4foxC-2aazA:
undetectable		 4foxC-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 11 GLU A 294
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.54A 4foxC-2oipA:
37.7		 4foxC-2oipA:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 11 GLU A 381
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.50A 4foxC-5t0lA:
37.5		 4foxC-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 11 TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.90A 4foxC-5t0lA:
37.5		 4foxC-5t0lA:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 SER A  54
GLU A  58
TRP A  80
TRP A  83
LEU A 143
LEU A 172
 None
CB3  A 701 ( 4.3A)
None
None
None
CB3  A 701 (-3.5A)
 0.67A 4foxC-6cdzA:
39.8		 4foxC-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 11 SER A  54
GLU A  58
TRP A  83
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.83A 4foxC-6cdzA:
39.8		 4foxC-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 SER A  54
TRP A  80
TRP A  83
LEU A 143
LEU A 172
PHE A 176
 None
None
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 1.02A 4foxC-6cdzA:
39.8		 4foxC-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 11 SER A  54
TRP A  83
LEU A 143
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.12A 4foxC-6cdzA:
39.8		 4foxC-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 GLU A  65
ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.74A 4foxD-1ci7A:
37.5		 4foxD-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.98A 4foxD-1ci7A:
37.5		 4foxD-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 12 GLU A  79
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.28A 4foxD-2aazA:
undetectable		 4foxD-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 GLU A 294
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.45A 4foxD-2oipA:
39.2		 4foxD-2oipA:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.50A 4foxD-5t0lA:
38.8		 4foxD-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.77A 4foxD-5t0lA:
38.8		 4foxD-5t0lA:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.68A 4foxD-6cdzA:
40.3		 4foxD-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
VAL A 262
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
None
 1.17A 4foxD-6cdzA:
40.3		 4foxD-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.96A 4foxD-6cdzA:
40.3		 4foxD-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
VAL A 262
 None
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
None
 1.29A 4foxD-6cdzA:
40.3		 4foxD-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 GLU A  65
ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.67A 4foxE-1ci7A:
36.5		 4foxE-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 12 ILE A  86
TRP A  87
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 1.02A 4foxE-1ci7A:
36.5		 4foxE-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		9 / 12 LYS A  69
GLU A  79
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.41A 4foxE-2aazA:
undetectable		 4foxE-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 LYS A 284
GLU A 294
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.45A 4foxE-2oipA:
38.0		 4foxE-2oipA:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 12 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.87A 4foxE-5t0lA:
37.5		 4foxE-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 LYS A 371
GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 CB3  A 703 (-3.2A)
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.44A 4foxE-5t0lA:
37.5		 4foxE-5t0lA:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 LYS A  48
SER A  54
GLU A  58
ILE A  79
TRP A  80
TRP A  83
LEU A 172
 CB3  A 701 ( 4.8A)
None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
 0.69A 4foxE-6cdzA:
40.3		 4foxE-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		9 / 12 LYS A  48
SER A  54
GLU A  58
ILE A  79
TRP A  83
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.67A 4foxE-6cdzA:
40.3		 4foxE-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
ILE A  79
TRP A  80
TRP A  83
LEU A 172
PHE A 176
 None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 1.03A 4foxE-6cdzA:
40.3		 4foxE-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 12 SER A  54
ILE A  79
TRP A  83
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.00A 4foxE-6cdzA:
40.3		 4foxE-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 11 GLU A  65
ILE A  86
TRP A  87
LEU A 170
ASP A 202
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.78A 4foxF-1ci7A:
36.6		 4foxF-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 11 ILE A  86
TRP A  87
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 1.01A 4foxF-1ci7A:
36.6		 4foxF-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 11 GLU A  79
ILE A 100
TRP A 101
LEU A 184
ASP A 219
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.29A 4foxF-2aazA:
undetectable		 4foxF-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 11 GLU A 294
ILE A 315
TRP A 316
LEU A 399
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.53A 4foxF-2oipA:
37.9		 4foxF-2oipA:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 11 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.55A 4foxF-5t0lA:
37.6		 4foxF-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 11 ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.89A 4foxF-5t0lA:
37.6		 4foxF-5t0lA:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 11 GLU A  58
ILE A  79
TRP A  80
TRP A  83
LEU A 143
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
None
 0.61A 4foxF-6cdzA:
40.0		 4foxF-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 11 GLU A  58
ILE A  79
TRP A  83
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.91A 4foxF-6cdzA:
40.0		 4foxF-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 ILE A  79
TRP A  83
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.01A 4foxF-6cdzA:
40.0		 4foxF-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 GLU A  65
ILE A  86
TRP A  87
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.73A 4foxG-1ci7A:
36.5		 4foxG-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.98A 4foxG-1ci7A:
36.5		 4foxG-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		9 / 12 GLU A  79
ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.31A 4foxG-2aazA:
undetectable		 4foxG-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 GLU A 294
ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.43A 4foxG-2oipA:
38.0		 4foxG-2oipA:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.48A 4foxG-5t0lA:
37.7		 4foxG-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.91A 4foxG-5t0lA:
37.7		 4foxG-5t0lA:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		8 / 12 SER A  54
GLU A  58
ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.79A 4foxG-6cdzA:
39.9		 4foxG-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  80
LEU A 143
LEU A 172
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
 0.68A 4foxG-6cdzA:
39.9		 4foxG-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 SER A  54
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.96A 4foxG-6cdzA:
39.9		 4foxG-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A  54
ILE A  79
TRP A  80
LEU A 172
PHE A 176
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 1.06A 4foxG-6cdzA:
39.9		 4foxG-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 11 GLU A  65
ILE A  86
TRP A  87
ASP A 202
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.76A 4foxH-1ci7A:
36.3		 4foxH-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 11 ILE A  86
TRP A  87
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.98A 4foxH-1ci7A:
36.3		 4foxH-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 11 GLU A  79
ILE A 100
TRP A 101
ASP A 219
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.25A 4foxH-2aazA:
undetectable		 4foxH-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		7 / 11 GLU A 294
ILE A 315
TRP A 316
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.54A 4foxH-2oipA:
37.8		 4foxH-2oipA:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 11 GLU A 381
ILE A 402
TRP A 403
ASP A 513
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.49A 4foxH-5t0lA:
37.4		 4foxH-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 11 ILE A 402
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.75A 4foxH-5t0lA:
37.4		 4foxH-5t0lA:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 SER A  54
GLU A  58
ILE A  79
ASP A 169
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.62A 4foxH-6cdzA:
39.7		 4foxH-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 SER A  54
ILE A  79
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.87A 4foxH-6cdzA:
39.7		 4foxH-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 GLU A  65
ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.72A 4fqsA-1ci7A:
37.5		 4fqsA-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 12 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.87A 4fqsA-1ci7A:
37.5		 4fqsA-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 12 GLU A  79
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.21A 4fqsA-2aazA:
undetectable		 4fqsA-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 GLU A 294
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.42A 4fqsA-2oipA:
39.2		 4fqsA-2oipA:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.54A 4fqsA-5t0lA:
38.7		 4fqsA-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.82A 4fqsA-5t0lA:
38.7		 4fqsA-5t0lA:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.82A 4fqsA-6cdzA:
40.3		 4fqsA-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
VAL A 262
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
None
 1.32A 4fqsA-6cdzA:
40.3		 4fqsA-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLU A  58
ILE A  79
TRP A  80
LEU A 172
GLY A 173
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
 0.91A 4fqsA-6cdzA:
40.3		 4fqsA-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.00A 4fqsA-6cdzA:
40.3		 4fqsA-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
VAL A 262
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
None
 1.34A 4fqsA-6cdzA:
40.3		 4fqsA-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 GLU A  65
ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.73A 4fqsB-1ci7A:
37.4		 4fqsB-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 12 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.88A 4fqsB-1ci7A:
37.4		 4fqsB-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 12 GLU A  79
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.23A 4fqsB-2aazA:
undetectable		 4fqsB-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 GLU A 294
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.43A 4fqsB-2oipA:
39.1		 4fqsB-2oipA:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.56A 4fqsB-5t0lA:
38.7		 4fqsB-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.83A 4fqsB-5t0lA:
38.7		 4fqsB-5t0lA:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.84A 4fqsB-6cdzA:
40.2		 4fqsB-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
VAL A 262
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
None
 1.31A 4fqsB-6cdzA:
40.2		 4fqsB-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLU A  58
ILE A  79
TRP A  80
LEU A 172
GLY A 173
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
 0.91A 4fqsB-6cdzA:
40.2		 4fqsB-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 ILE A  79
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.07A 4fqsB-6cdzA:
40.2		 4fqsB-6cdzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 7 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.66A 4iqqA-1ci7A:
41.2		 4iqqA-1ci7A:
53.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 7 ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.02A 4iqqA-2aazA:
undetectable		 4iqqA-2aazA:
49.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 7 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.77A 4iqqA-2oipA:
40.5		 4iqqA-2oipA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 7 ILE A 315
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 1.18A 4iqqA-2oipA:
40.5		 4iqqA-2oipA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		5 / 7 ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.71A 4iqqB-1ci7A:
40.6		 4iqqB-1ci7A:
53.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		4 / 7 ILE A  86
ASP A 202
GLY A 206
PHE A 209
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
 0.59A 4iqqB-1ci7A:
40.6		 4iqqB-1ci7A:
53.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		4 / 7 ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.75A 4iqqB-2aazA:
undetectable		 4iqqB-2aazA:
49.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		4 / 7 ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.76A 4iqqB-2oipA:
39.5		 4iqqB-2oipA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 7 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.46A 4iqqB-5t0lA:
40.1		 4iqqB-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		4 / 7 ILE A 402
LEU A 516
GLY A 517
PHE A 520
 CB3  A 703 (-3.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
 0.55A 4iqqB-5t0lA:
40.1		 4iqqB-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 7 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.56A 4iqqB-6cdzA:
35.2		 4iqqB-6cdzA:
39.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		5 / 7 ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.61A 4iqqC-1ci7A:
40.6		 4iqqC-1ci7A:
53.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		4 / 7 ILE A  86
ASP A 202
GLY A 206
PHE A 209
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
 0.55A 4iqqC-1ci7A:
40.6		 4iqqC-1ci7A:
53.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		4 / 7 ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.65A 4iqqC-2aazA:
undetectable		 4iqqC-2aazA:
49.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		4 / 7 ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.70A 4iqqC-2oipA:
39.7		 4iqqC-2oipA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 7 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.45A 4iqqC-5t0lA:
40.3		 4iqqC-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		4 / 7 ILE A 402
LEU A 516
GLY A 517
PHE A 520
 CB3  A 703 (-3.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
 0.54A 4iqqC-5t0lA:
40.3		 4iqqC-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 7 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.62A 4iqqC-6cdzA:
35.6		 4iqqC-6cdzA:
39.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 8 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.63A 4iqqD-1ci7A:
40.0		 4iqqD-1ci7A:
53.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 8 ILE A 100
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.06A 4iqqD-2aazA:
undetectable		 4iqqD-2aazA:
49.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 8 LYS A  69
ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 1.12A 4iqqD-2aazA:
undetectable		 4iqqD-2aazA:
49.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 8 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.71A 4iqqD-2oipA:
39.4		 4iqqD-2oipA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 8 ILE A 315
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 1.19A 4iqqD-2oipA:
39.4		 4iqqD-2oipA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 8 LYS A 284
ILE A 315
ASP A 426
GLY A 430
TYR A 466
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 1.05A 4iqqD-2oipA:
39.4		 4iqqD-2oipA:
32.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JQ4_B_IMNB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 10 HIS A  51
VAL A  77
ILE A  79
TYR A 252
LEU A  44
 None
None
CB3  A 701 (-3.9A)
None
None
 1.49A 4jq4B-6cdzA:
undetectable		 4jq4B-6cdzA:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q5M_A_ROCA1101_2
(PROTEASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 12 GLY A 305
ILE A 341
GLY A 320
VAL A 313
ILE A 315
 None
None
None
None
CB3  A 604 ( 3.7A)
 0.84A 4q5mA-2oipA:
undetectable		 4q5mA-2oipA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		4 / 7 SER A 437
TYR A 438
PHE A 298
GLU A 294
 None
None
None
CB3  A 604 ( 3.8A)
 1.41A 4xzkA-2oipA:
undetectable		 4xzkA-2oipA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		4 / 7 SER A 524
TYR A 525
PHE A 385
GLU A 381
 None
None
None
CB3  A 703 ( 4.1A)
 1.27A 4xzkA-5t0lA:
undetectable		 4xzkA-5t0lA:
19.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_A_C2FA402_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 11 PHE A  58
ILE A  86
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.72A 5fctA-1ci7A:
43.9		 5fctA-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_A_C2FA402_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 11 PHE A  58
ILE A  86
TRP A  87
ASN A  90
LEU A 170
ASP A 202
LEU A 205
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.76A 5fctA-1ci7A:
43.9		 5fctA-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_A_C2FA402_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 11 PHE A  72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.59A 5fctA-2aazA:
undetectable		 5fctA-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_A_C2FA402_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 11 ILE A 315
TRP A 316
ASN A 319
LEU A 399
ASP A 426
LEU A 429
GLY A 430
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.65A 5fctA-2oipA:
44.8		 5fctA-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_A_C2FA402_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 11 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.64A 5fctA-5t0lA:
45.3		 5fctA-5t0lA:
35.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FCT_A_C2FA402_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.97A 5fctA-6cdzA:
37.6		 5fctA-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 12 LYS A  55
VAL A  57
PHE A  58
LEU A 205
TYR A 242
MET A 293
 CB3  A 768 ( 4.9A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 ( 4.7A)
None
 1.14A 5fctB-1ci7A:
44.0		 5fctB-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 VAL A  57
PHE A  58
ILE A  86
LEU A 170
CYH A 173
LEU A 205
TYR A 242
MET A 293
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
UMP  A 767 (-4.7A)
UMP  A 767 (-1.9A)
CB3  A 768 ( 4.4A)
CB3  A 768 ( 4.7A)
None
CB3  A 768 (-3.8A)
 0.68A 5fctB-1ci7A:
44.0		 5fctB-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 VAL A  57
PHE A  58
ILE A  86
TRP A  87
LEU A 170
LEU A 205
TYR A 242
MET A 293
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
CB3  A 768 ( 4.7A)
None
CB3  A 768 (-3.8A)
 0.68A 5fctB-1ci7A:
44.0		 5fctB-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		11 / 12 LYS A  69
VAL A  71
PHE A  72
ILE A 100
TRP A 101
LEU A 184
CYH A 187
LEU A 222
TYR A 259
MET A 313
MET A 315
 CB3  A2351 ( 4.1A)
None
CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
UMP  A 350 (-1.8A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 4.3A)
None
CB3  A2351 (-3.4A)
 0.37A 5fctB-2aazA:
undetectable		 5fctB-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		11 / 12 LYS A 284
VAL A 286
ILE A 315
TRP A 316
LEU A 399
CYH A 402
LEU A 429
TYR A 466
MET A 517
MET A 519
ALA A 520
 CB3  A 604 ( 4.7A)
None
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
UMP  A 603 ( 3.0A)
CB3  A 604 ( 4.4A)
UMP  A 603 ( 4.3A)
None
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.53A 5fctB-2oipA:
44.9		 5fctB-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		12 / 12 LYS A 371
VAL A 373
PHE A 374
ILE A 402
TRP A 403
LEU A 486
CYH A 489
LEU A 516
TYR A 553
MET A 606
MET A 608
ALA A 609
 CB3  A 703 (-3.2A)
CB3  A 703 ( 3.6A)
None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
UMP  A 701 (-2.9A)
CB3  A 703 (-3.7A)
UMP  A 701 (-4.4A)
None
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.50A 5fctB-5t0lA:
45.5		 5fctB-5t0lA:
35.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 LYS A  48
ILE A  79
LEU A 143
CYH A 146
LEU A 172
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
None
UMP  A 702 (-3.4A)
CB3  A 701 (-3.5A)
UMP  A 702 ( 4.2A)
 1.06A 5fctB-6cdzA:
37.7		 5fctB-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_B_C2FB402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		3 / 3 ASN A  90
ASP A 202
GLY A 206
 CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
 0.63A 5fctB-1ci7A:
44.0		 5fctB-1ci7A:
58.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_B_C2FB402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		3 / 3 ASN A 104
ASP A 219
GLY A 223
 CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
 0.21A 5fctB-2aazA:
undetectable		 5fctB-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_B_C2FB402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		3 / 3 ASN A 319
ASP A 426
GLY A 430
 CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
 0.34A 5fctB-2oipA:
44.9		 5fctB-2oipA:
34.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_A_D16A401_1
(ORF70)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 7 PHE A  58
ILE A  86
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.50A 5h3aA-1ci7A:
40.8		 5h3aA-1ci7A:
60.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_A_D16A401_1
(ORF70)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 7 PHE A  72
ILE A 100
ASP A 219
GLY A 223
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.76A 5h3aA-2aazA:
undetectable		 5h3aA-2aazA:
59.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_A_D16A401_1
(ORF70)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 7 PHE A  72
ILE A 100
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.20A 5h3aA-2aazA:
undetectable		 5h3aA-2aazA:
59.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_A_D16A401_1
(ORF70)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		4 / 7 ILE A 315
ASP A 426
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.54A 5h3aA-2oipA:
41.0		 5h3aA-2oipA:
31.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_B_D16B401_1
(ORF70)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 7 PHE A  58
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.59A 5h3aB-1ci7A:
12.3		 5h3aB-1ci7A:
60.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_B_D16B401_1
(ORF70)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 7 PHE A  58
ILE A  86
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.43A 5h3aB-1ci7A:
12.3		 5h3aB-1ci7A:
60.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_B_D16B401_1
(ORF70)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 7 ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.78A 5h3aB-2aazA:
undetectable		 5h3aB-2aazA:
59.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_B_D16B401_1
(ORF70)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 7 ILE A 100
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.12A 5h3aB-2aazA:
undetectable		 5h3aB-2aazA:
59.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_B_D16B401_1
(ORF70)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		4 / 7 PHE A  72
ASP A 219
GLY A 223
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.53A 5h3aB-2aazA:
undetectable		 5h3aB-2aazA:
59.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_B_D16B401_1
(ORF70)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		4 / 7 ILE A 315
ASP A 426
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.42A 5h3aB-2oipA:
19.9		 5h3aB-2oipA:
31.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_B_D16B401_1
(ORF70)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 7 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.52A 5h3aB-5t0lA:
42.8		 5h3aB-5t0lA:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H3A_B_D16B401_1
(ORF70)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 7 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.54A 5h3aB-6cdzA:
36.6		 5h3aB-6cdzA:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 12 GLU A  65
ILE A  86
LEU A 170
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.76A 5j7wC-1ci7A:
37.3		 5j7wC-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 12 GLU A  65
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.80A 5j7wC-1ci7A:
37.3		 5j7wC-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 12 GLU A  79
ILE A 100
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.35A 5j7wC-2aazA:
undetectable		 5j7wC-2aazA:
41.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 GLU A 294
ILE A 315
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.50A 5j7wC-2oipA:
38.7		 5j7wC-2oipA:
27.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.68A 5j7wC-5t0lA:
38.6		 5j7wC-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 12 ILE A 402
LEU A 486
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 1.08A 5j7wC-5t0lA:
38.6		 5j7wC-5t0lA:
25.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLU A  58
ILE A  79
LEU A 143
LEU A 172
GLY A 173
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
 0.89A 5j7wC-6cdzA:
39.4		 5j7wC-6cdzA:
61.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 GLU A  65
ILE A  86
TRP A  87
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.78A 5j7wD-1ci7A:
36.9		 5j7wD-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 12 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.89A 5j7wD-1ci7A:
36.9		 5j7wD-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		9 / 12 GLU A  79
ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.41A 5j7wD-2aazA:
undetectable		 5j7wD-2aazA:
41.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 12 GLU A 294
ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.51A 5j7wD-2oipA:
38.4		 5j7wD-2oipA:
27.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.74A 5j7wD-5t0lA:
38.2		 5j7wD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.71A 5j7wD-5t0lA:
38.2		 5j7wD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
LEU A 486
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 1.08A 5j7wD-5t0lA:
38.2		 5j7wD-5t0lA:
25.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 GLU A  58
ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 1.10A 5j7wD-6cdzA:
38.9		 5j7wD-6cdzA:
61.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 GLU A  58
ILE A  79
TRP A  80
LEU A 143
LEU A 172
GLY A 173
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
 0.91A 5j7wD-6cdzA:
38.9		 5j7wD-6cdzA:
61.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LJE_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		5 / 12 PHE A  49
LEU A 216
ALA A 212
PHE A 209
ILE A  63
 None
None
None
CB3  A 768 (-3.6A)
None
 1.12A 5ljeA-1ci7A:
undetectable		 5ljeA-1ci7A:
17.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 7 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.68A 5nooA-1ci7A:
41.4		 5nooA-1ci7A:
53.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		4 / 7 ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.76A 5nooA-2aazA:
undetectable		 5nooA-2aazA:
49.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		4 / 7 ILE A 100
ASP A 219
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.59A 5nooA-2aazA:
undetectable		 5nooA-2aazA:
49.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 7 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.76A 5nooA-2oipA:
40.4		 5nooA-2oipA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 7 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.49A 5nooA-5t0lA:
41.0		 5nooA-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 7 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.48A 5nooA-6cdzA:
36.0		 5nooA-6cdzA:
39.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		5 / 7 ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.73A 5nooB-1ci7A:
41.0		 5nooB-1ci7A:
53.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		5 / 7 ILE A  86
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.62A 5nooB-1ci7A:
41.0		 5nooB-1ci7A:
53.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		4 / 7 ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.76A 5nooB-2aazA:
undetectable		 5nooB-2aazA:
49.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		4 / 7 ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.77A 5nooB-2oipA:
40.1		 5nooB-2oipA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 7 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.48A 5nooB-5t0lA:
40.6		 5nooB-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		4 / 7 ILE A 402
LEU A 516
GLY A 517
PHE A 520
 CB3  A 703 (-3.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
 0.54A 5nooB-5t0lA:
40.6		 5nooB-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 7 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.56A 5nooB-6cdzA:
35.6		 5nooB-6cdzA:
39.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		5 / 6 ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.75A 5nooC-1ci7A:
12.5		 5nooC-1ci7A:
53.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		4 / 6 ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.76A 5nooC-2aazA:
undetectable		 5nooC-2aazA:
49.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		4 / 6 LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.03A 5nooC-2aazA:
undetectable		 5nooC-2aazA:
49.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		4 / 6 ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.77A 5nooC-2oipA:
20.2		 5nooC-2oipA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 6 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.48A 5nooC-5t0lA:
40.2		 5nooC-5t0lA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 6 ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.53A 5nooC-6cdzA:
35.3		 5nooC-6cdzA:
39.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 8 ARG A  56
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 None
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.84A 5nooD-1ci7A:
12.5		 5nooD-1ci7A:
53.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 8 ARG A  70
ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 None
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 1.38A 5nooD-2aazA:
undetectable		 5nooD-2aazA:
49.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 8 ILE A 100
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.14A 5nooD-2aazA:
undetectable		 5nooD-2aazA:
49.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 8 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.78A 5nooD-2oipA:
20.3		 5nooD-2oipA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 8 ILE A 315
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 1.25A 5nooD-2oipA:
20.3		 5nooD-2oipA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 GLU A  65
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.82A 5x5qB-1ci7A:
42.6		 5x5qB-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 GLU A  65
ILE A  86
ASP A 202
LEU A 205
PHE A 209
TYR A 242
THR A 290
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
None
CB3  A 768 (-3.8A)
 0.84A 5x5qB-1ci7A:
42.6		 5x5qB-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 GLU A  65
ILE A  86
ASP A 202
PHE A 209
TYR A 242
THR A 290
MET A 293
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
None
None
CB3  A 768 (-3.8A)
 0.81A 5x5qB-1ci7A:
42.6		 5x5qB-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 GLU A  65
ILE A  86
TRP A  87
ASP A 202
GLY A 206
PHE A 209
TYR A 242
MET A 293
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
None
CB3  A 768 (-3.8A)
 0.84A 5x5qB-1ci7A:
42.6		 5x5qB-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 12 GLU A  79
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 313
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
None
 0.66A 5x5qB-2aazA:
undetectable		 5x5qB-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 12 ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.97A 5x5qB-2aazA:
undetectable		 5x5qB-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 12 ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 313
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
None
CB3  A2351 (-3.4A)
 0.76A 5x5qB-2aazA:
undetectable		 5x5qB-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 GLU A 294
ILE A 315
ASP A 426
LEU A 429
GLY A 430
THR A 514
MET A 517
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
None
None
CB3  A 604 ( 4.0A)
 0.87A 5x5qB-2oipA:
43.4		 5x5qB-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 GLU A 294
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
TYR A 466
THR A 514
MET A 517
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
None
None
 0.72A 5x5qB-2oipA:
43.4		 5x5qB-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
TYR A 466
THR A 514
MET A 517
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
None
None
CB3  A 604 ( 3.5A)
 0.81A 5x5qB-2oipA:
43.4		 5x5qB-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 12 GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 606
MET A 608
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
None
CB3  A 703 (-3.6A)
 0.55A 5x5qB-5t0lA:
44.2		 5x5qB-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 GLU A 381
ILE A 402
TRP A 403
LEU A 516
GLY A 517
PHE A 520
MET A 606
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
None
CB3  A 703 (-3.8A)
 0.67A 5x5qB-5t0lA:
44.2		 5x5qB-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.40A 5x5qB-6cdzA:
37.9		 5x5qB-6cdzA:
49.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 GLU A  58
ILE A  79
TRP A  80
ASP A 169
LEU A 172
PHE A 176
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.68A 5x5qB-6cdzA:
37.9		 5x5qB-6cdzA:
49.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 7 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.64A 5x5qC-1ci7A:
40.7		 5x5qC-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 7 ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.68A 5x5qC-2aazA:
undetectable		 5x5qC-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 7 PHE A  72
ILE A 100
ASP A 219
GLY A 223
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.68A 5x5qC-2aazA:
undetectable		 5x5qC-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 7 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.66A 5x5qC-2oipA:
41.3		 5x5qC-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 7 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.40A 5x5qC-5t0lA:
42.1		 5x5qC-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 7 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.42A 5x5qC-6cdzA:
36.6		 5x5qC-6cdzA:
49.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 8 LYS A  55
PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 ( 4.9A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.75A 5x5qD-1ci7A:
12.5		 5x5qD-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 8 ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.65A 5x5qD-2aazA:
undetectable		 5x5qD-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 8 ILE A 100
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.02A 5x5qD-2aazA:
undetectable		 5x5qD-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		4 / 8 PHE A  72
ILE A 100
ASP A 219
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 4.3A)
 0.62A 5x5qD-2aazA:
undetectable		 5x5qD-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 8 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.64A 5x5qD-2oipA:
19.7		 5x5qD-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 8 LYS A 371
PHE A 374
ASP A 513
LEU A 516
TYR A 553
 CB3  A 703 (-3.2A)
None
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
UMP  A 701 (-4.4A)
 1.27A 5x5qD-5t0lA:
42.6		 5x5qD-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 8 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.38A 5x5qD-5t0lA:
42.6		 5x5qD-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 8 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.39A 5x5qD-6cdzA:
23.2		 5x5qD-6cdzA:
49.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 8 LYS A  48
ILE A  79
ASP A 169
LEU A 172
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
UMP  A 702 ( 4.2A)
 1.27A 5x5qD-6cdzA:
23.2		 5x5qD-6cdzA:
49.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		6 / 6 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.63A 5x5qE-1ci7A:
41.1		 5x5qE-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 6 PHE A  72
ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.73A 5x5qE-2aazA:
undetectable		 5x5qE-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 6 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.63A 5x5qE-2oipA:
41.4		 5x5qE-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 8 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.61A 5x5qF-1ci7A:
41.1		 5x5qF-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 8 ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.65A 5x5qF-2aazA:
undetectable		 5x5qF-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 8 ILE A 100
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.02A 5x5qF-2aazA:
undetectable		 5x5qF-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		4 / 8 PHE A  72
ILE A 100
ASP A 219
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 4.3A)
 0.61A 5x5qF-2aazA:
undetectable		 5x5qF-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		5 / 8 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.64A 5x5qF-2oipA:
41.4		 5x5qF-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 8 ARG A 603
PHE A 374
ASP A 513
LEU A 516
GLY A 517
 CB3  A 703 (-3.2A)
None
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
 1.06A 5x5qF-5t0lA:
42.4		 5x5qF-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 8 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.39A 5x5qF-5t0lA:
42.4		 5x5qF-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 8 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.42A 5x5qF-6cdzA:
36.6		 5x5qF-6cdzA:
49.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.65A 5x66A-1ci7A:
42.7
5x66B-1ci7A:
12.7		 5x66A-1ci7A:
61.28
5x66B-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 PHE A  58
ILE A  86
LEU A 205
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.88A 5x66A-1ci7A:
42.7
5x66B-1ci7A:
12.7		 5x66A-1ci7A:
61.28
5x66B-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 ILE A 100
ASP A 219
LEU A 222
GLY A 223
ASN A 227
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.58A 5x66A-2aazA:
undetectable
5x66B-2aazA:
undetectable		 5x66A-2aazA:
61.84
5x66B-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 PHE A  72
ILE A 100
ASP A 219
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 1.06A 5x66A-2aazA:
undetectable
5x66B-2aazA:
undetectable		 5x66A-2aazA:
61.84
5x66B-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 PHE A  72
ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.69A 5x66A-2aazA:
undetectable
5x66B-2aazA:
undetectable		 5x66A-2aazA:
61.84
5x66B-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
ASP A 426
LEU A 429
GLY A 430
ASN A 434
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.55A 5x66A-2oipA:
43.1
5x66B-2oipA:
20.0		 5x66A-2oipA:
38.51
5x66B-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 PHE A 374
ILE A 402
ASP A 513
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.59A 5x66A-5t0lA:
44.4
5x66B-5t0lA:
20.0		 5x66A-5t0lA:
38.34
5x66B-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 12 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.67A 5x66A-5t0lA:
44.4
5x66B-5t0lA:
20.0		 5x66A-5t0lA:
38.34
5x66B-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 ILE A  79
ASP A 169
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.30A 5x66A-6cdzA:
37.8
5x66B-6cdzA:
37.9		 5x66A-6cdzA:
49.41
5x66B-6cdzA:
49.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 ILE A  79
ASP A 169
LEU A 172
GLY A 173
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.67A 5x66A-6cdzA:
37.8
5x66B-6cdzA:
37.9		 5x66A-6cdzA:
49.41
5x66B-6cdzA:
49.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 9 ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.56A 5x66C-1ci7A:
42.5		 5x66C-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		5 / 9 ILE A  86
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.80A 5x66C-1ci7A:
42.5		 5x66C-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 9 ILE A 100
ASP A 219
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 1.01A 5x66C-2aazA:
undetectable		 5x66C-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 9 ILE A 100
ASP A 219
LEU A 222
GLY A 223
ASN A 227
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.56A 5x66C-2aazA:
undetectable		 5x66C-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		7 / 9 ILE A 315
ASP A 426
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 1.13A 5x66C-2oipA:
43.3		 5x66C-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 9 ILE A 315
ASP A 426
LEU A 429
GLY A 430
ASN A 434
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.55A 5x66C-2oipA:
43.3		 5x66C-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 9 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.56A 5x66C-5t0lA:
44.4		 5x66C-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 9 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.47A 5x66C-6cdzA:
38.0		 5x66C-6cdzA:
49.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 10 PHE A  58
ILE A  86
ASP A 202
GLY A 206
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.64A 5x66D-1ci7A:
42.7		 5x66D-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 10 ARG A  70
ASP A 219
PHE A 226
TYR A 259
MET A 315
 None
CB3  A2351 ( 3.6A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 1.29A 5x66D-2aazA:
undetectable		 5x66D-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		6 / 10 ILE A 100
ASP A 219
GLY A 223
ASN A 227
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.53A 5x66D-2aazA:
undetectable		 5x66D-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 10 PHE A  72
ILE A 100
ASP A 219
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 1.02A 5x66D-2aazA:
undetectable		 5x66D-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		7 / 10 ILE A 315
ASP A 426
GLY A 430
ASN A 434
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.48A 5x66D-2oipA:
43.4		 5x66D-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		7 / 10 ILE A 315
ASP A 426
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 1.08A 5x66D-2oipA:
43.4		 5x66D-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		9 / 10 PHE A 374
ILE A 402
ASP A 513
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.46A 5x66D-5t0lA:
44.3		 5x66D-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 10 ILE A  79
ASP A 169
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.29A 5x66D-6cdzA:
38.1		 5x66D-6cdzA:
49.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 LYS A  55
PHE A  58
ILE A  86
LEU A 205
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 ( 4.9A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 1.16A 5x66F-1ci7A:
42.8		 5x66F-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
THR A 290
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
None
CB3  A 768 (-3.8A)
 0.73A 5x66F-1ci7A:
42.8		 5x66F-1ci7A:
61.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 12 LYS A  69
PHE A  72
ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.64A 5x66F-2aazA:
undetectable		 5x66F-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 PHE A  72
ILE A 100
ASP A 219
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 1.03A 5x66F-2aazA:
undetectable		 5x66F-2aazA:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
ASP A 426
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
VAL A 521
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
None
 1.27A 5x66F-2oipA:
43.5		 5x66F-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 12 LYS A 284
ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
THR A 514
MET A 519
ALA A 520
VAL A 521
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
None
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
None
 0.86A 5x66F-2oipA:
43.5		 5x66F-2oipA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 LYS A 371
PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
VAL A 610
 CB3  A 703 (-3.2A)
None
CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
None
 1.06A 5x66F-5t0lA:
44.5		 5x66F-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 LYS A  48
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.54A 5x66F-6cdzA:
38.1		 5x66F-6cdzA:
49.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		5 / 12 ILE A  86
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.89A 6qxsB-1ci7A:
36.4		 6qxsB-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 ILE A  86
TRP A  87
LEU A 170
LEU A 205
GLY A 206
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.79A 6qxsB-1ci7A:
36.4		 6qxsB-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 12 ILE A 100
TRP A 101
LEU A 184
LEU A 222
GLY A 223
PHE A 226
ASN A 227
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.46A 6qxsB-2aazA:
undetectable		 6qxsB-2aazA:
41.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
TRP A 316
LEU A 399
LEU A 429
GLY A 430
PHE A 433
ASN A 434
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
 0.56A 6qxsB-2oipA:
37.8		 6qxsB-2oipA:
27.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
LEU A 486
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 1.10A 6qxsB-5t0lA:
37.5		 6qxsB-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		6 / 12 ILE A 402
TRP A 403
LEU A 486
GLY A 517
ASN A 521
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 0.76A 6qxsB-5t0lA:
37.5		 6qxsB-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 ILE A  79
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 1.08A 6qxsB-6cdzA:
37.5		 6qxsB-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 ILE A  79
TRP A  80
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.86A 6qxsB-6cdzA:
37.5		 6qxsB-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 TRP A  80
LEU A 143
LEU A 172
GLY A 173
ASN A 177
 None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.92A 6qxsB-6cdzA:
37.5		 6qxsB-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 ILE A  86
TRP A  87
LEU A 170
ASP A 202
LEU A 205
GLY A 206
ASN A 210
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
 0.74A 6qxsD-1ci7A:
36.3		 6qxsD-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		7 / 12 ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
 0.50A 6qxsD-2aazA:
undetectable		 6qxsD-2aazA:
41.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		8 / 12 ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
ASN A 434
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 4.0A)
 0.64A 6qxsD-2oipA:
37.8		 6qxsD-2oipA:
27.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.8A)
 0.76A 6qxsD-5t0lA:
37.5		 6qxsD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
ASN A 521
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.8A)
 0.73A 6qxsD-5t0lA:
37.5		 6qxsD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 ILE A  79
ASP A 169
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.77A 6qxsD-6cdzA:
37.4		 6qxsD-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 ILE A  79
LEU A 143
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.96A 6qxsD-6cdzA:
37.4		 6qxsD-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 ILE A  79
TRP A  80
LEU A 143
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.83A 6qxsD-6cdzA:
37.4		 6qxsD-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		7 / 12 ILE A  86
TRP A  87
LEU A 170
HIS A 174
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
None
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.79A 6qyaB-1ci7A:
36.0		 6qyaB-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		8 / 12 ILE A 100
TRP A 101
LEU A 184
HIS A 188
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
UMP  A 350 (-4.2A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.44A 6qyaB-2aazA:
undetectable		 6qyaB-2aazA:
41.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 12 ILE A 315
TRP A 316
LEU A 399
HIS A 403
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
UMP  A 603 ( 4.4A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.50A 6qyaB-2oipA:
37.6		 6qyaB-2oipA:
27.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
LEU A 486
HIS A 490
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.72A 6qyaB-5t0lA:
37.5		 6qyaB-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 12 ILE A 402
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.97A 6qyaB-5t0lA:
37.5		 6qyaB-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		7 / 12 ILE A 402
TRP A 403
LEU A 486
HIS A 490
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.68A 6qyaB-5t0lA:
37.5		 6qyaB-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 ILE A  79
HIS A 147
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 (-3.9A)
UMP  A 702 (-4.3A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.84A 6qyaB-6cdzA:
37.3		 6qyaB-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		8 / 12 ILE A  86
TRP A  87
LEU A 170
HIS A 174
LEU A 205
GLY A 206
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
None
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.74A 6qyaD-1ci7A:
35.9		 6qyaD-1ci7A:
44.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		9 / 12 ILE A 100
TRP A 101
LEU A 184
HIS A 188
LEU A 222
GLY A 223
PHE A 226
ASN A 227
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
UMP  A 350 (-4.2A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.44A 6qyaD-2aazA:
undetectable		 6qyaD-2aazA:
41.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 12 ILE A 315
TRP A 316
LEU A 399
HIS A 403
LEU A 429
GLY A 430
PHE A 433
ASN A 434
TYR A 466
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
UMP  A 603 ( 4.4A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.54A 6qyaD-2oipA:
37.5		 6qyaD-2oipA:
27.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
LEU A 486
HIS A 490
LEU A 516
GLY A 517
ASN A 521
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.69A 6qyaD-5t0lA:
37.4		 6qyaD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		5 / 12 ILE A 402
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.98A 6qyaD-5t0lA:
37.4		 6qyaD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		8 / 12 ILE A 402
TRP A 403
LEU A 486
HIS A 490
GLY A 517
ASN A 521
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.66A 6qyaD-5t0lA:
37.4		 6qyaD-5t0lA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 ILE A  79
HIS A 147
GLY A 173
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
UMP  A 702 (-4.3A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.57A 6qyaD-6cdzA:
37.3		 6qyaD-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 ILE A  79
LEU A 172
GLY A 173
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.75A 6qyaD-6cdzA:
37.3		 6qyaD-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		10 / 12 PHE A  58
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 1.05A 6r2eA-1ci7A:
43.6		 6r2eA-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		10 / 12 PHE A  58
ILE A  86
ASN A  90
LEU A 170
LEU A 205
GLY A 206
PHE A 209
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 1.03A 6r2eA-1ci7A:
43.6		 6r2eA-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		10 / 12 PHE A  58
ILE A  86
TRP A  87
ASN A  90
LEU A 170
LEU A 205
GLY A 206
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.84A 6r2eA-1ci7A:
43.6		 6r2eA-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		10 / 12 PHE A  58
TRP A  87
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
ASN A 210
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.86A 6r2eA-1ci7A:
43.6		 6r2eA-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		12 / 12 PHE A  72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
ASN A 227
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.56A 6r2eA-2aazA:
undetectable		 6r2eA-2aazA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		11 / 12 ILE A 315
TRP A 316
ASN A 319
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
ASN A 434
TYR A 466
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.75A 6r2eA-2oipA:
44.5		 6r2eA-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
ILE A 402
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.92A 6r2eA-5t0lA:
45.1		 6r2eA-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.72A 6r2eA-5t0lA:
45.1		 6r2eA-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		7 / 12 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.96A 6r2eA-6cdzA:
37.1		 6r2eA-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 ILE A  79
LEU A 143
LEU A 172
GLY A 173
PHE A 176
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
 1.18A 6r2eA-6cdzA:
37.1		 6r2eA-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 ILE A  79
TRP A  80
LEU A 143
GLY A 173
PHE A 176
ASN A 177
 CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
 1.14A 6r2eA-6cdzA:
37.1		 6r2eA-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		10 / 10 PHE A  58
ILE A  86
TRP A  87
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.76A 6r2eB-1ci7A:
43.3		 6r2eB-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 10 PHE A  72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 (-3.4A)
 0.54A 6r2eB-2aazA:
undetectable		 6r2eB-2aazA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 10 ILE A 315
TRP A 316
ASN A 319
LEU A 399
ASP A 426
LEU A 429
GLY A 430
ASN A 434
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 3.5A)
 0.70A 6r2eB-2oipA:
44.4		 6r2eB-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 10 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
 0.70A 6r2eB-5t0lA:
44.8		 6r2eB-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 10 ILE A  79
ASP A 169
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.86A 6r2eB-6cdzA:
37.2		 6r2eB-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 10 ILE A  79
LEU A 143
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.93A 6r2eB-6cdzA:
37.2		 6r2eB-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		10 / 10 PHE A  58
ILE A  86
TRP A  87
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.84A 6r2eC-1ci7A:
43.6		 6r2eC-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 10 PHE A  72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 (-3.4A)
 0.57A 6r2eC-2aazA:
undetectable		 6r2eC-2aazA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 10 ILE A 315
TRP A 316
ASN A 319
LEU A 399
ASP A 426
LEU A 429
GLY A 430
ASN A 434
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 3.5A)
 0.77A 6r2eC-2oipA:
44.6		 6r2eC-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 10 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
 0.73A 6r2eC-5t0lA:
45.1		 6r2eC-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 10 ILE A  79
ASP A 169
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.70A 6r2eC-6cdzA:
37.1		 6r2eC-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 10 ILE A  79
LEU A 143
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.93A 6r2eC-6cdzA:
37.1		 6r2eC-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 10 PHE A  58
ILE A  86
TRP A  87
ASN A  90
LEU A 170
LEU A 205
GLY A 206
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.74A 6r2eD-1ci7A:
43.4		 6r2eD-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 10 PHE A  58
TRP A  87
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.77A 6r2eD-1ci7A:
43.4		 6r2eD-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 10 PHE A  72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 (-3.4A)
 0.51A 6r2eD-2aazA:
undetectable		 6r2eD-2aazA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		9 / 10 ILE A 315
TRP A 316
ASN A 319
LEU A 399
ASP A 426
LEU A 429
GLY A 430
ASN A 434
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 3.5A)
 0.67A 6r2eD-2oipA:
44.4		 6r2eD-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 10 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
 0.70A 6r2eD-5t0lA:
44.9		 6r2eD-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 10 ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 1.00A 6r2eD-6cdzA:
37.3		 6r2eD-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 12 PHE A  58
ILE A  86
ASN A  90
LEU A 170
LEU A 205
GLY A 206
PHE A 209
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 1.03A 6r2eE-1ci7A:
43.3		 6r2eE-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		10 / 12 PHE A  58
ILE A  86
TRP A  87
ASN A  90
TYR A 113
LEU A 170
LEU A 205
GLY A 206
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.76A 6r2eE-1ci7A:
43.3		 6r2eE-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		11 / 12 PHE A  72
ILE A 100
TRP A 101
ASN A 104
TYR A 127
LEU A 184
LEU A 222
GLY A 223
PHE A 226
ASN A 227
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
None
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
UMP  A 350 ( 3.2A)
CB3  A2351 (-3.4A)
 0.47A 6r2eE-2aazA:
undetectable		 6r2eE-2aazA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		5 / 12 PHE A  72
ILE A 100
TYR A 127
PHE A 226
ALA A 317
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
None
CB3  A2351 (-3.8A)
None
 1.04A 6r2eE-2aazA:
undetectable		 6r2eE-2aazA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		11 / 12 ILE A 315
TRP A 316
ASN A 319
TYR A 342
LEU A 399
LEU A 429
GLY A 430
PHE A 433
ASN A 434
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
None
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.63A 6r2eE-2oipA:
44.4		 6r2eE-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 12 PHE A 374
ILE A 402
ASN A 406
LEU A 486
LEU A 516
GLY A 517
PHE A 520
ASN A 521
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.90A 6r2eE-5t0lA:
45.1		 6r2eE-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 12 PHE A 374
ILE A 402
TRP A 403
ASN A 406
TYR A 429
LEU A 486
LEU A 516
GLY A 517
ASN A 521
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
None
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.65A 6r2eE-5t0lA:
45.1		 6r2eE-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 ILE A  79
LEU A 143
LEU A 172
GLY A 173
PHE A 176
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
 1.19A 6r2eE-6cdzA:
37.2		 6r2eE-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 ILE A  79
TRP A  80
LEU A 143
PHE A 176
ASN A 177
 CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
 1.02A 6r2eE-6cdzA:
37.2		 6r2eE-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 ILE A  79
TRP A  80
TYR A  94
LEU A 143
ASN A 177
 CB3  A 701 (-3.9A)
None
None
None
UMP  A 702 ( 2.4A)
 0.57A 6r2eE-6cdzA:
37.2		 6r2eE-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 ILE A  79
TYR A  94
LEU A 143
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.86A 6r2eE-6cdzA:
37.2		 6r2eE-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		10 / 11 PHE A  58
ILE A  86
TRP A  87
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.82A 6r2eF-1ci7A:
43.5		 6r2eF-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		10 / 11 PHE A  72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 (-3.4A)
 0.49A 6r2eF-2aazA:
undetectable		 6r2eF-2aazA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 11 ILE A 315
TRP A 316
ASN A 319
LEU A 399
ASP A 426
LEU A 429
GLY A 430
ASN A 434
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.68A 6r2eF-2oipA:
44.5		 6r2eF-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		11 / 11 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.71A 6r2eF-5t0lA:
45.0		 6r2eF-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 11 ILE A  79
ASP A 169
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.78A 6r2eF-6cdzA:
37.1		 6r2eF-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 11 ILE A  79
LEU A 143
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.95A 6r2eF-6cdzA:
37.1		 6r2eF-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		10 / 11 PHE A  58
ILE A  86
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
PHE A 209
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 1.03A 6r2eG-1ci7A:
43.4		 6r2eG-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		9 / 11 PHE A  58
ILE A  86
TRP A  87
ASN A  90
LEU A 170
ASP A 202
LEU A 205
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.78A 6r2eG-1ci7A:
43.4		 6r2eG-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		11 / 11 PHE A  72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
ASN A 227
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
UMP  A 350 ( 3.2A)
CB3  A2351 (-3.4A)
 0.50A 6r2eG-2aazA:
undetectable		 6r2eG-2aazA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		10 / 11 ILE A 315
TRP A 316
ASN A 319
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
ASN A 434
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 3.5A)
 0.70A 6r2eG-2oipA:
44.5		 6r2eG-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 11 PHE A 374
ILE A 402
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
 0.94A 6r2eG-5t0lA:
45.2		 6r2eG-5t0lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		10 / 11 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
 0.72A 6r2eG-5t0lA:
45.2		 6r2eG-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
ASN A 177
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
 1.04A 6r2eG-6cdzA:
37.2		 6r2eG-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 11 ILE A  79
LEU A 143
LEU A 172
GLY A 173
PHE A 176
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
 1.20A 6r2eG-6cdzA:
37.2		 6r2eG-6cdzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)
(Pneumocystis
carinii) 		11 / 12 PHE A  58
ILE A  86
TRP A  87
ASN A  90
TYR A 113
LEU A 170
ASP A 202
LEU A 205
GLY A 206
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.88A 6r2eH-1ci7A:
43.6		 6r2eH-1ci7A:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 2aaz THYMIDYLATE SYNTHASE
(Cryptococcus
neoformans) 		11 / 12 PHE A  72
ILE A 100
TRP A 101
ASN A 104
TYR A 127
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 (-3.4A)
 0.64A 6r2eH-2aazA:
undetectable		 6r2eH-2aazA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR
(Cryptosporidium
hominis) 		11 / 12 ILE A 315
TRP A 316
ASN A 319
TYR A 342
LEU A 399
ASP A 426
LEU A 429
GLY A 430
ASN A 434
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.83A 6r2eH-2oipA:
44.4		 6r2eH-2oipA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Toxoplasma
gondii) 		12 / 12 PHE A 374
ILE A 402
TRP A 403
ASN A 406
TYR A 429
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
None
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.81A 6r2eH-5t0lA:
45.1		 6r2eH-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 ILE A  79
ASP A 169
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.76A 6r2eH-6cdzA:
37.1		 6r2eH-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 ILE A  79
TRP A  80
TYR A  94
LEU A 143
ASN A 177
 CB3  A 701 (-3.9A)
None
None
None
UMP  A 702 ( 2.4A)
 0.71A 6r2eH-6cdzA:
37.1		 6r2eH-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		6 / 12 ILE A  79
TYR A  94
LEU A 143
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.97A 6r2eH-6cdzA:
37.1		 6r2eH-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 6cdz THYMIDYLATE SYNTHASE
(Escherichia
coli) 		5 / 12 TYR A  94
LEU A 143
GLY A 173
ASN A 177
ALA A 263
 None
None
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
CB3  A 701 (-3.4A)
 1.27A 6r2eH-6cdzA:
37.1		 6r2eH-6cdzA:
undetectable