SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3d6n'

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
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.
1D4F_B_ADNB602_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 LEU A 261
LEU A 239
GLY A 297
MET A 351
PHE A 302
 None
 1.42A 1d4fB-3d6nA:
undetectable		 1d4fB-3d6nA:
23.65
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.
1E7B_B_HLTB4001_1
(SERUM ALBUMIN)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		4 / 4 ARG B 240
LYS B 243
ASP B 200
GLY B 202
 None
 1.19A 1e7bB-3d6nB:
0.0		 1e7bB-3d6nB:
18.68
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.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		4 / 5 HIS A  61
HIS A 180
HIS A 232
ASP A 305
 ZN  A 423 (-3.5A)
FLC  A 424 (-4.0A)
FLC  A 424 (-4.8A)
FLC  A 424 ( 2.7A)
 0.52A 1e9yB-3d6nA:
22.0		 1e9yB-3d6nA:
22.07
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.
1FK9_A_EFZA999_1
(HIV-1 RT, A-CHAIN)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 10 LEU A 200
VAL A 317
VAL B 101
TYR B 105
LEU A 269
 None
 1.31A 1fk9A-3d6nA:
undetectable		 1fk9A-3d6nA:
23.08
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.
1FWE_C_HAEC989_1
(UREASE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 6 HIS A  61
HIS A  63
HIS A 180
HIS A 232
ASP A 305
 ZN  A 423 (-3.5A)
ZN  A 423 ( 3.4A)
FLC  A 424 (-4.0A)
FLC  A 424 (-4.8A)
FLC  A 424 ( 2.7A)
 0.46A 1fweC-3d6nA:
23.1		 1fweC-3d6nA:
23.74
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.
1MJQ_G_SAMG199_0
(METHIONINE REPRESSOR)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		5 / 10 GLU B  17
GLU B  24
ALA B  22
ALA B 284
PHE B 288
 None
 1.03A 1mjqG-3d6nB:
undetectable
1mjqH-3d6nB:
undetectable		 1mjqG-3d6nB:
19.58
1mjqH-3d6nB:
19.58
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.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 PHE A  87
ILE A 354
GLY A 365
GLY A  56
THR A 366
 None
 1.10A 1nv8A-3d6nA:
undetectable		 1nv8A-3d6nA:
22.37
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.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 PHE A  87
ILE A 354
GLY A  56
ILE A 349
THR A 366
 None
 0.98A 1nv8B-3d6nA:
undetectable		 1nv8B-3d6nA:
22.37
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.
1S9Q_A_CHDA459_0
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		4 / 6 LEU B 150
VAL B 149
ILE B 175
TYR B 230
 None
 0.75A 1s9qA-3d6nB:
undetectable		 1s9qA-3d6nB:
23.15
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.
1SG9_A_SAMA301_0
(HEMK PROTEIN)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 PHE A  87
ILE A 354
GLY A  56
ILE A 349
THR A 366
 None
 0.98A 1sg9A-3d6nA:
undetectable		 1sg9A-3d6nA:
22.48
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.
1VQ1_A_SAMA301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 PHE A  87
ILE A 354
GLY A  56
ILE A 349
THR A 366
 None
 1.02A 1vq1A-3d6nA:
undetectable		 1vq1A-3d6nA:
21.76
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.
1WOP_A_FFOA2887_1
(AMINOMETHYLTRANSFERA
SE)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		3 / 3 ASP B 258
GLU B 217
ARG B  97
 None
None
FLC  B 292 (-2.8A)
 0.87A 1wopA-3d6nB:
undetectable		 1wopA-3d6nB:
23.18
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.
2A58_A_RBFA300_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 11 TYR A 188
GLY A 189
SER A 203
HIS B 157
ALA A 206
 None
 1.44A 2a58A-3d6nA:
undetectable
2a58E-3d6nA:
undetectable		 2a58A-3d6nA:
18.25
2a58E-3d6nA:
18.25
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.
2A58_D_RBFD303_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 11 ALA A 206
TYR A 188
GLY A 189
SER A 203
HIS B 157
 None
 1.44A 2a58C-3d6nA:
undetectable
2a58D-3d6nA:
undetectable		 2a58C-3d6nA:
18.25
2a58D-3d6nA:
18.25
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		4 / 8 MET B 170
LEU B 168
LEU B  19
VAL B  15
 None
 0.98A 2bdmA-3d6nB:
undetectable		 2bdmA-3d6nB:
20.79
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.
2E1Q_D_SALD5006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		4 / 5 ARG B  97
PHE B  41
THR B  48
LEU B  50
 FLC  B 292 (-2.8A)
None
FLC  B 292 (-4.1A)
None
 1.37A 2e1qD-3d6nB:
undetectable		 2e1qD-3d6nB:
11.87
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.
2EJT_A_SAMA501_0
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		 3d6n DIHYDROOROTASE
ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus;
Aquifex
aeolicus) 		5 / 12 LEU A 200
ALA A 198
ILE B 155
ILE A 191
PHE B 103
 None
 1.23A 2ejtA-3d6nA:
undetectable		 2ejtA-3d6nA:
23.49
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.
2HC4_A_VDXA525_1
(VITAMIN D RECEPTOR)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		5 / 12 LEU B   4
VAL B 117
SER B 163
VAL B 281
LEU B  59
 None
 1.14A 2hc4A-3d6nB:
undetectable		 2hc4A-3d6nB:
21.47
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.
2VN0_A_TDZA501_1
(CYTOCHROME P450 2C8)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 ILE A 191
PHE A 263
ASN A 259
VAL A 196
ILE A 324
 None
 1.20A 2vn0A-3d6nA:
undetectable		 2vn0A-3d6nA:
20.37
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.
2ZLC_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		5 / 12 LEU B   4
VAL B 117
SER B 163
VAL B 281
LEU B  59
 None
 1.12A 2zlcA-3d6nB:
undetectable		 2zlcA-3d6nB:
23.55
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.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		4 / 8 ASP B 258
GLY B 153
TYR B 230
HIS B 249
 None
 1.02A 3af0A-3d6nB:
undetectable		 3af0A-3d6nB:
21.49
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.
3G1U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 LEU A 261
LEU A 239
GLY A 297
MET A 351
PHE A 302
 None
 1.33A 3g1uC-3d6nA:
undetectable		 3g1uC-3d6nA:
23.25
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.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 LEU A 261
LEU A 239
GLY A 297
MET A 351
PHE A 302
 None
 1.30A 3g1uD-3d6nA:
undetectable		 3g1uD-3d6nA:
23.25
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 LEU A 261
LEU A 239
GLY A 297
MET A 351
PHE A 302
 None
 1.28A 3glqA-3d6nA:
undetectable		 3glqA-3d6nA:
21.96
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 LEU A 261
LEU A 239
GLY A 297
MET A 351
PHE A 302
 None
 1.28A 3glqB-3d6nA:
undetectable		 3glqB-3d6nA:
21.96
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.
3HCN_B_CHDB2_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		3 / 3 LEU B  65
LEU B  39
ARG B  97
 None
None
FLC  B 292 (-2.8A)
 0.63A 3hcnB-3d6nB:
2.3		 3hcnB-3d6nB:
22.31
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.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		3 / 3 ARG A 339
ILE A  52
THR A 412
 None
 0.75A 3ia4D-3d6nA:
undetectable		 3ia4D-3d6nA:
18.51
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.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 LEU A 261
LEU A 239
GLY A 297
MET A 351
PHE A 302
 None
 1.25A 3n58A-3d6nA:
undetectable		 3n58A-3d6nA:
24.39
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.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 LEU A  25
ILE A 375
GLY A  29
ILE A  31
LEU A   2
 None
 0.96A 3uj6A-3d6nA:
undetectable		 3uj6A-3d6nA:
22.66
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.
3UNC_A_SALA1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		5 / 9 LEU B  39
ARG B  97
PHE B  41
THR B  48
LEU B  50
 None
FLC  B 292 (-2.8A)
None
FLC  B 292 (-4.1A)
None
 1.40A 3uncA-3d6nB:
undetectable		 3uncA-3d6nB:
12.54
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.
3UNC_B_SALB1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		5 / 9 LEU B  39
ARG B  97
PHE B  41
THR B  48
LEU B  50
 None
FLC  B 292 (-2.8A)
None
FLC  B 292 (-4.1A)
None
 1.40A 3uncB-3d6nB:
undetectable		 3uncB-3d6nB:
12.54
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.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 HIS A 260
GLY A 323
HIS A 232
PRO A 156
HIS A 180
 None
FLC  A 424 (-3.2A)
FLC  A 424 (-4.8A)
None
FLC  A 424 (-4.0A)
 1.21A 4bz6C-3d6nA:
undetectable		 4bz6C-3d6nA:
22.65
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.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 11 HIS A 180
ASP A 153
HIS A 232
ASN A 278
HIS A  63
 FLC  A 424 (-4.0A)
ZN  A 423 ( 2.4A)
FLC  A 424 (-4.8A)
FLC  A 424 (-4.8A)
ZN  A 423 ( 3.4A)
 1.27A 4c1fA-3d6nA:
undetectable
4c1fB-3d6nA:
undetectable		 4c1fA-3d6nA:
21.84
4c1fB-3d6nA:
21.84
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.
4DF3_A_SAMA301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 GLY A 125
ALA A 149
VAL A 175
ASP A 138
ALA A 137
 None
 1.43A 4df3A-3d6nA:
undetectable		 4df3A-3d6nA:
18.08
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.
4H9M_A_HAEA929_1
(UREASE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		4 / 5 HIS A  61
HIS A 180
HIS A 232
ASP A 305
 ZN  A 423 (-3.5A)
FLC  A 424 (-4.0A)
FLC  A 424 (-4.8A)
FLC  A 424 ( 2.7A)
 0.45A 4h9mA-3d6nA:
24.3		 4h9mA-3d6nA:
20.50
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		4 / 5 GLU A 182
ARG A 205
PRO A 279
SER A 234
 None
 1.46A 4k17B-3d6nA:
undetectable		 4k17B-3d6nA:
19.88
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.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		5 / 9 VAL B 160
GLY B 120
ALA B 119
THR B  48
ILE B 285
 None
None
None
FLC  B 292 (-4.1A)
None
 0.97A 4r21B-3d6nB:
undetectable		 4r21B-3d6nB:
20.83
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.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 6 HIS A  61
HIS A  63
HIS A 180
HIS A 232
ASP A 305
 ZN  A 423 (-3.5A)
ZN  A 423 ( 3.4A)
FLC  A 424 (-4.0A)
FLC  A 424 (-4.8A)
FLC  A 424 ( 2.7A)
 0.43A 4ubpC-3d6nA:
23.3		 4ubpC-3d6nA:
24.87
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.
5KPC_A_SAMA401_1
(PAVINE
N-METHYLTRANSFERASE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		4 / 5 SER A  77
ASN A  95
GLN A  69
ASP A 153
 None
FLC  A 424 (-3.6A)
None
ZN  A 423 ( 2.4A)
 1.42A 5kpcA-3d6nA:
undetectable		 5kpcA-3d6nA:
20.56
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.
5L6E_B_ACTB401_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT
N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		4 / 6 GLU A 168
LEU A 220
ARG A 223
ARG A 164
 None
 1.01A 5l6eA-3d6nA:
undetectable
5l6eB-3d6nA:
undetectable		 5l6eA-3d6nA:
19.63
5l6eB-3d6nA:
22.69
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.
5U4S_A_BEZA301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		4 / 7 ILE A 219
LEU A 220
MET A 163
LEU A 167
 None
 0.97A 5u4sA-3d6nA:
2.4		 5u4sA-3d6nA:
19.90
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.
5U4S_B_BEZB301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		4 / 8 ILE A 219
LEU A 220
MET A 163
LEU A 167
 None
 0.93A 5u4sB-3d6nA:
3.2		 5u4sB-3d6nA:
19.90
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.
5UUN_A_ACTA312_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		3 / 3 ILE A 324
VAL A 277
PRO A 279
 None
FLC  A 424 ( 3.8A)
None
 0.65A 5uunA-3d6nA:
undetectable		 5uunA-3d6nA:
22.14
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.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 LEU A 261
LEU A 239
GLY A 297
MET A 351
PHE A 302
 None
 1.28A 6aphA-3d6nA:
undetectable		 6aphA-3d6nA:
22.49
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		4 / 7 SER B  45
HIS B 126
GLY B 120
ARG B 282
 FLC  B 292 ( 4.5A)
FLC  B 292 (-4.0A)
None
None
 1.04A 6btxA-3d6nB:
undetectable		 6btxA-3d6nB:
22.47
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.
6C2M_B_SUEB1202_1
(NS3 PROTEASE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 9 VAL A  62
HIS A  61
ASP A  59
LEU A 392
ALA A  84
 None
ZN  A 423 (-3.5A)
None
None
None
 1.30A 6c2mB-3d6nA:
undetectable		 6c2mB-3d6nA:
13.89
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.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 THR A 124
ASP A 305
HIS A 180
ASN A  95
HIS A  63
 None
FLC  A 424 ( 2.7A)
FLC  A 424 (-4.0A)
FLC  A 424 (-3.6A)
ZN  A 423 ( 3.4A)
 1.27A 6exiC-3d6nA:
undetectable		 6exiC-3d6nA:
15.70
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.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 THR A 124
ASP A 305
HIS A 180
ASN A  95
HIS A  63
 None
FLC  A 424 ( 2.7A)
FLC  A 424 (-4.0A)
FLC  A 424 (-3.6A)
ZN  A 423 ( 3.4A)
 1.22A 6exiD-3d6nA:
undetectable		 6exiD-3d6nA:
15.70
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.
6FGC_A_ACTA813_0
(GEPHYRIN)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		3 / 3 THR B  63
ALA B  56
LYS B 283
 None
 0.74A 6fgcA-3d6nB:
5.0		 6fgcA-3d6nB:
19.48
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.
6FGD_A_ACTA817_0
(GEPHYRIN)		 3d6n ASPARTATE
CARBAMOYLTRANSFERASE
(Aquifex
aeolicus) 		3 / 3 THR B  63
ALA B  56
LYS B 283
 None
 0.74A 6fgdA-3d6nB:
5.1		 6fgdA-3d6nB:
19.48
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.
6GBN_B_ADNB501_1
(-)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 LEU A 261
LEU A 239
GLY A 297
MET A 351
PHE A 302
 None
 1.30A 6gbnB-3d6nA:
undetectable		 6gbnB-3d6nA:
23.58
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.
6GNG_B_QPSB601_1
(-)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 12 THR A  96
THR A 126
HIS A 306
PRO A 176
GLY A 323
 None
None
None
None
FLC  A 424 (-3.2A)
 1.30A 6gngB-3d6nA:
undetectable		 6gngB-3d6nA:
20.66
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 11 THR A 151
VAL A  91
MET A  93
THR A 253
ILE A 252
 None
None
ZN  A 423 ( 4.8A)
None
None
 1.16A 6hcoA-3d6nA:
undetectable
6hcoB-3d6nA:
1.2		 6hcoA-3d6nA:
22.52
6hcoB-3d6nA:
22.52
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.
6HLO_A_GBQA1501_1
(SUBSTANCE-P
RECEPTOR,GLGA
GLYCOGEN
SYNTHASE,SUBSTANCE-P
RECEPTOR)		 3d6n DIHYDROOROTASE
(Aquifex
aeolicus) 		5 / 9 ILE A 377
ILE A 413
GLU A  21
VAL A  53
ILE A 375
 None
 1.34A 6hloA-3d6nA:
undetectable		 6hloA-3d6nA:
20.76