SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3uwd'

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.
1NBH_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 12 ILE A 302
VAL A 264
ASP A 265
ALA A 228
TYR A 303
 None
 1.31A 1nbhC-3uwdA:
undetectable		 1nbhC-3uwdA:
20.77
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.
2H42_A_VIAA901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 11 HIS A 231
ALA A 222
ILE A 217
ILE A 302
PHE A 260
 None
 1.03A 2h42A-3uwdA:
undetectable		 2h42A-3uwdA:
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.
2H42_B_VIAB902_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 12 HIS A 231
ALA A 222
ILE A 217
ILE A 302
PHE A 260
 None
 0.99A 2h42B-3uwdA:
undetectable		 2h42B-3uwdA:
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.
3B2R_A_VDNA1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 12 HIS A 231
ALA A 222
ILE A 217
ILE A 302
PHE A 260
 None
 1.02A 3b2rA-3uwdA:
undetectable		 3b2rA-3uwdA:
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.
3B2R_B_VDNB1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 11 HIS A 231
ALA A 222
ILE A 217
ILE A 302
PHE A 260
 None
 1.06A 3b2rB-3uwdA:
undetectable		 3b2rB-3uwdA:
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.
3BUR_B_TESB340_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 10 ILE A 295
ASN A 316
TRP A 315
VAL A 314
VAL A 313
 None
 1.28A 3burB-3uwdA:
undetectable		 3burB-3uwdA:
20.59
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.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 12 GLY A 257
ALA A 190
ALA A 191
LEU A 252
LEU A 215
 BTB  A 401 ( 4.9A)
None
None
None
None
 1.06A 3mteB-3uwdA:
2.2		 3mteB-3uwdA:
23.14
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.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 12 GLY A 257
ALA A 190
ALA A 191
LEU A 252
LEU A 215
 BTB  A 401 ( 4.9A)
None
None
None
None
 1.05A 3p2kA-3uwdA:
2.4		 3p2kA-3uwdA:
22.78
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.
3P2K_D_SAMD6735_0
(16S RRNA METHYLASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 12 GLY A 257
ALA A 190
ALA A 191
LEU A 252
LEU A 215
 BTB  A 401 ( 4.9A)
None
None
None
None
 0.99A 3p2kD-3uwdA:
2.6		 3p2kD-3uwdA:
22.78
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.
3P5N_A_RBFA190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 12 THR A 299
ASP A 294
GLY A 330
ALA A 333
ALA A 337
 None
 0.82A 3p5nA-3uwdA:
undetectable		 3p5nA-3uwdA:
20.45
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.
3P5N_B_RBFB190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 12 THR A 299
ASP A 294
GLY A 330
ALA A 333
ALA A 337
 None
 0.83A 3p5nB-3uwdA:
undetectable		 3p5nB-3uwdA:
20.45
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.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 12 VAL A 103
ALA A  99
SER A 155
ILE A 159
LEU A 163
 None
 1.10A 4ky8C-3uwdA:
undetectable		 4ky8C-3uwdA:
20.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		6 / 12 GLY A 195
ALA A 196
GLY A 219
GLY A 220
LEU A 237
GLY A 320
 CL  A 396 (-4.0A)
CL  A 396 (-4.2A)
CL  A 396 ( 3.7A)
CL  A 396 (-4.1A)
None
CL  A 396 ( 3.7A)
 0.48A 4o33A-3uwdA:
51.8		 4o33A-3uwdA:
48.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		6 / 12 GLY A 195
ALA A 196
GLY A 219
GLY A 220
LEU A 237
PHE A 272
 CL  A 396 (-4.0A)
CL  A 396 (-4.2A)
CL  A 396 ( 3.7A)
CL  A 396 (-4.1A)
None
None
 0.61A 4o33A-3uwdA:
51.8		 4o33A-3uwdA:
48.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		6 / 12 GLY A 195
GLY A 219
GLY A 220
LEU A 237
GLY A 320
VAL A 321
 CL  A 396 (-4.0A)
CL  A 396 ( 3.7A)
CL  A 396 (-4.1A)
None
CL  A 396 ( 3.7A)
CL  A 396 ( 4.8A)
 0.50A 4o33A-3uwdA:
51.8		 4o33A-3uwdA:
48.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		6 / 12 GLY A 195
GLY A 219
GLY A 220
LEU A 237
PHE A 272
VAL A 321
 CL  A 396 (-4.0A)
CL  A 396 ( 3.7A)
CL  A 396 (-4.1A)
None
None
CL  A 396 ( 4.8A)
 1.06A 4o33A-3uwdA:
51.8		 4o33A-3uwdA:
48.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		6 / 12 GLY A 195
ALA A 196
GLY A 219
GLY A 220
LEU A 237
PHE A 272
 CL  A 396 (-4.0A)
CL  A 396 (-4.2A)
CL  A 396 ( 3.7A)
CL  A 396 (-4.1A)
None
None
 0.49A 4o3fA-3uwdA:
49.9		 4o3fA-3uwdA:
47.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		6 / 12 GLY A 195
GLY A 219
GLY A 220
LEU A 237
GLY A 320
VAL A 321
 CL  A 396 (-4.0A)
CL  A 396 ( 3.7A)
CL  A 396 (-4.1A)
None
CL  A 396 ( 3.7A)
CL  A 396 ( 4.8A)
 0.63A 4o3fA-3uwdA:
49.9		 4o3fA-3uwdA:
47.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		6 / 12 GLY A 195
GLY A 219
GLY A 220
LEU A 237
PHE A 272
VAL A 321
 CL  A 396 (-4.0A)
CL  A 396 ( 3.7A)
CL  A 396 (-4.1A)
None
None
CL  A 396 ( 4.8A)
 1.03A 4o3fA-3uwdA:
49.9		 4o3fA-3uwdA:
47.62
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.
4P6V_E_RBFE201_1
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		4 / 5 VAL A 117
GLU A 115
VAL A 113
LYS A  90
 None
 1.23A 4p6vB-3uwdA:
undetectable
4p6vE-3uwdA:
undetectable		 4p6vB-3uwdA:
24.27
4p6vE-3uwdA:
20.41
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.
5IEP_A_VDYA201_2
(CDL2.3B)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 9 VAL A 334
LEU A 338
ILE A 307
TYR A 345
LEU A 178
 None
 1.32A 5iepA-3uwdA:
undetectable		 5iepA-3uwdA:
16.33
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.
5IKR_B_ID8B602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		3 / 3 SER A 370
LEU A 338
MET A 366
 None
 0.85A 5ikrB-3uwdA:
undetectable		 5ikrB-3uwdA:
21.90
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.
5MUG_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 12 VAL A 117
LEU A  60
VAL A  76
LEU A  80
ILE A  44
 None
 1.06A 5mugA-3uwdA:
undetectable		 5mugA-3uwdA:
20.45
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.
5N0S_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		4 / 4 GLY A 372
ALA A 148
MET A 171
THR A 156
 None
 1.33A 5n0sB-3uwdA:
2.0		 5n0sB-3uwdA:
22.96
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.
6NCS_A_ACTA303_0
(N-ACETYLNEURAMINIC
ACID (SIALIC ACID)
SYNTHETASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		3 / 3 ILE A 268
THR A 269
PRO A 287
 None
 0.62A 6ncsA-3uwdA:
undetectable		 6ncsA-3uwdA:
22.14