SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4b0s'

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.
1ICR_A_NIOA604_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		4 / 5 SER A 491
PHE A 458
GLU A 447
GLY A 445
 None
 1.33A 1icrA-4b0sA:
0.7
1icrB-4b0sA:
undetectable		 1icrA-4b0sA:
18.43
1icrB-4b0sA:
18.43
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.
1ICV_A_NIOA704_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		4 / 4 SER A 491
PHE A 458
GLU A 447
GLY A 445
 None
 1.27A 1icvA-4b0sA:
1.1
1icvB-4b0sA:
undetectable		 1icvA-4b0sA:
18.43
1icvB-4b0sA:
18.43
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.
1ILQ_C_ACAC7_1
(INTERLEUKIN-8
PRECURSOR
INTERLEUKIN-8
RECEPTOR A)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		4 / 6 HIS A 172
ASP A 276
ASP A 303
PRO A 175
 None
 1.38A 1ilqA-4b0sA:
undetectable
1ilqC-4b0sA:
undetectable		 1ilqA-4b0sA:
8.62
1ilqC-4b0sA:
4.59
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.
1S9P_B_DESB459_2
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		3 / 3 LEU A 215
HIS A 241
ILE A 243
 None
MG  A1502 (-3.7A)
None
 0.51A 1s9pB-4b0sA:
undetectable		 1s9pB-4b0sA:
19.95
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)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		5 / 12 ILE A 174
LEU A 301
LEU A 286
GLY A 284
ALA A 309
 None
 1.06A 1tsnA-4b0sA:
undetectable		 1tsnA-4b0sA:
19.16
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.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		5 / 11 LEU A 370
ILE A 369
HIS A 394
ASP A 246
GLY A 185
 None
 1.25A 1zz1A-4b0sA:
undetectable		 1zz1A-4b0sA:
23.33
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.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		4 / 8 ALA A 117
GLU A 119
LEU A 415
VAL A 416
 None
 0.91A 2bxgA-4b0sA:
undetectable		 2bxgA-4b0sA:
23.91
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.
2QHF_A_ACTA503_0
(CHORISMATE SYNTHASE)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		4 / 5 THR A 432
ARG A 433
ALA A 434
ARG A 437
 None
ATP  A1501 (-3.5A)
None
None
 1.37A 2qhfA-4b0sA:
1.6		 2qhfA-4b0sA:
25.85
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.
2W98_B_P1ZB1359_1
(PROSTAGLANDIN
REDUCTASE 2)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		4 / 6 THR A   9
GLU A  99
MET A 122
LYS A  81
 None
MG  A1503 ( 2.0A)
None
None
 1.45A 2w98B-4b0sA:
undetectable		 2w98B-4b0sA:
20.31
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		4 / 8 ASP A  94
ARG A 205
GLY A 153
GLU A  10
 ATP  A1501 (-3.9A)
None
None
None
 1.02A 2ys6A-4b0sA:
undetectable		 2ys6A-4b0sA:
21.83
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.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		3 / 3 PHE A 436
CYH A 440
PHE A 444
 None
 0.99A 3cr5X-4b0sA:
undetectable		 3cr5X-4b0sA:
10.47
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.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		5 / 12 ALA A 320
GLY A 259
ASP A 110
ARG A 109
VAL A 339
 None
 1.07A 3o7wA-4b0sA:
undetectable		 3o7wA-4b0sA:
20.20
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.
4L1A_A_AB1A101_1
(MDR769 HIV-1
PROTEASE)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		5 / 11 GLY A 185
ALA A 186
ASP A 362
ILE A   7
THR A 145
 None
 1.16A 4l1aA-4b0sA:
undetectable		 4l1aA-4b0sA:
12.50
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		4 / 6 ASP A  94
GLU A   8
ASN A 225
ARG A 227
 ATP  A1501 (-3.9A)
MG  A1502 (-2.2A)
None
ATP  A1501 (-3.9A)
 1.24A 4ntxA-4b0sA:
0.9
4ntxC-4b0sA:
undetectable		 4ntxA-4b0sA:
20.62
4ntxC-4b0sA:
12.90
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.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		3 / 3 ARG A 120
ASN A 404
ASP A 362
 None
 0.93A 5gwxA-4b0sA:
undetectable		 5gwxA-4b0sA:
21.00
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.
5H2U_A_1N1A501_2
(PROTEIN-TYROSINE
KINASE 6)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		3 / 3 ILE A 174
MET A 267
ASP A 276
 None
 0.80A 5h2uA-4b0sA:
undetectable		 5h2uA-4b0sA:
18.47
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.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		4 / 7 ASN A  87
GLY A  88
ALA A  89
GLY A   6
 None
None
None
ATP  A1501 (-2.6A)
 0.69A 5kqyB-4b0sA:
undetectable		 5kqyB-4b0sA:
12.03
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.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		5 / 11 LEU A 140
GLY A 118
VAL A  31
ARG A 128
ALA A 126
 None
 1.03A 5o96A-4b0sA:
undetectable
5o96B-4b0sA:
undetectable		 5o96A-4b0sA:
19.43
5o96B-4b0sA:
19.43
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.
5X6Y_A_SAMA902_0
(MRNA CAPPING ENZYME
P5)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		5 / 12 ALA A 309
PRO A 282
GLU A 212
PHE A 209
VAL A 170
 None
 1.25A 5x6yA-4b0sA:
undetectable		 5x6yA-4b0sA:
20.57
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.
6BQG_A_ERMA1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		5 / 5 VAL A 105
THR A 432
LEU A 258
VAL A 242
LEU A 265
 None
 1.36A 6bqgA-4b0sA:
undetectable		 6bqgA-4b0sA:
10.63
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.
6NM4_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 4b0s DEAMIDASE-DEPUPYLASE
DOP
(Acidothermus
cellulolyticus) 		4 / 7 ALA A 186
GLY A 185
GLY A 153
ASN A 248
 None
 0.85A 6nm4A-4b0sA:
undetectable		 6nm4A-4b0sA:
16.33