SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'B40'


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.
1MJ2_C_SAMC1200_1
(PROTEIN (METHIONINE
REPRESSOR))		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		4 / 4 HIS B 387
ALA B 386
PHE B 385
GLY B 333
 CLA  B1226 (-4.1A)
CLA  B1226 ( 4.4A)
BCR  B4008 (-4.8A)
BCR  B4008 ( 4.6A)
 1.39A 1mj2D-6fosB:
undetectable		 1mj2D-6fosB:
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.
1NBH_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5gzt CHITINASE
(Paenibacillus
sp.
FPU-7) 		5 / 12 VAL B 850
ALA B 869
SER B 886
SER B 817
HIS B 779
 FMT  B4011 (-4.8A)
None
None
None
None
 1.40A 1nbhD-5gztB:
undetectable		 1nbhD-5gztB:
14.16
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.
2PCP_C_1PCC212_1
(IMMUNOGLOBULIN)		 4gqp ANTI-METH SCFV
(Mus
musculus) 		5 / 10 HIS H1032
PHE H1098
TYR H  50
TYR H  58
SER H  35
 None
None
B40  H1201 (-4.3A)
None
B40  H1201 (-3.4A)
 1.48A 2pcpC-4gqpH:
20.6
2pcpD-4gqpH:
18.4		 2pcpC-4gqpH:
25.10
2pcpD-4gqpH:
33.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		 3v4v INTEGRIN BETA-7
(Homo
sapiens) 		5 / 12 SER B 142
TYR B 143
SER B 144
ASN B 235
GLU B 240
 MG  B2001 ( 2.9A)
0DU  B4000 (-4.4A)
MG  B2001 ( 2.9A)
CA  B2003 ( 3.1A)
0DU  B4000 (-3.3A)
 0.58A 2vdmA-3v4vB:
undetectable
2vdmB-3v4vB:
33.3		 2vdmA-3v4vB:
23.29
2vdmB-3v4vB:
42.32
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.
2VN1_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		4 / 6 LEU B 173
SER B 327
PHE B 330
ASP B 395
 None
None
BCR  B4008 (-4.5A)
None
 1.33A 2vn1B-6fosB:
undetectable		 2vn1B-6fosB:
17.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GKZ_A_B40A500_1
(ANTI-METHAMPHETAMINE
SINGLE CHAIN FV)		 4gqp ANTI-METH SCFV
(Mus
musculus) 		11 / 11 TYR H  33
SER H  35
TYR H  47
TYR H  50
PHE H  95
GLU H 101
TYR H1034
TYR H1036
HIS H1089
TRP H1091
PHE H1096
 B40  H1201 (-3.7A)
B40  H1201 (-3.4A)
B40  H1201 (-4.6A)
B40  H1201 (-4.3A)
B40  H1201 (-3.7A)
B40  H1201 (-3.1A)
B40  H1201 (-4.0A)
None
B40  H1201 (-4.1A)
B40  H1201 (-3.9A)
B40  H1201 ( 4.8A)
 0.13A 3gkzA-4gqpH:
40.5		 3gkzA-4gqpH:
99.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GM0_A_B41A600_1
(ANTI-METHAMPHETAMINE
SINGLE CHAIN FV)		 4gqp ANTI-METH SCFV
(Mus
musculus) 		11 / 11 TYR H  33
SER H  35
TYR H  47
TYR H  50
PHE H  95
GLU H 101
TYR H1034
TYR H1036
HIS H1089
TRP H1091
PHE H1096
 B40  H1201 (-3.7A)
B40  H1201 (-3.4A)
B40  H1201 (-4.6A)
B40  H1201 (-4.3A)
B40  H1201 (-3.7A)
B40  H1201 (-3.1A)
B40  H1201 (-4.0A)
None
B40  H1201 (-4.1A)
B40  H1201 (-3.9A)
B40  H1201 ( 4.8A)
 0.23A 3gm0A-4gqpH:
39.1		 3gm0A-4gqpH:
99.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GM0_A_B41A600_1
(ANTI-METHAMPHETAMINE
SINGLE CHAIN FV)		 4gqp ANTI-METH SCFV
(Mus
musculus) 		8 / 11 TYR H  50
SER H  35
GLU H 101
TYR H1034
TYR H1036
HIS H1089
TRP H1091
PHE H1096
 B40  H1201 (-4.3A)
B40  H1201 (-3.4A)
B40  H1201 (-3.1A)
B40  H1201 (-4.0A)
None
B40  H1201 (-4.1A)
B40  H1201 (-3.9A)
B40  H1201 ( 4.8A)
 1.23A 3gm0A-4gqpH:
39.1		 3gm0A-4gqpH:
99.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V8V_A_SAMA801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 5gzt CHITINASE
(Paenibacillus
sp.
FPU-7) 		5 / 12 THR B 975
ASP B1015
VAL B 943
PRO B 980
LEU B 951
 FMT  B4008 (-4.4A)
None
None
None
None
 1.13A 3v8vA-5gztB:
undetectable		 3v8vA-5gztB:
20.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LAR_L_1WEL300_1
(SINGLE HEAVY CHAIN
VARIABLE FRAGMENT
SINGLE LIGHT CHAIN
VARIABLE FRAGMENT)		 4gqp ANTI-METH SCFV
(Mus
musculus) 		10 / 10 TYR H  33
SER H  35
TYR H  47
TYR H  50
PHE H  95
GLU H 101
TYR H1036
HIS H1089
TRP H1091
PHE H1096
 B40  H1201 (-3.7A)
B40  H1201 (-3.4A)
B40  H1201 (-4.6A)
B40  H1201 (-4.3A)
B40  H1201 (-3.7A)
B40  H1201 (-3.1A)
None
B40  H1201 (-4.1A)
B40  H1201 (-3.9A)
B40  H1201 ( 4.8A)
 0.22A 4larH-4gqpH:
25.1
4larL-4gqpH:
13.8		 4larH-4gqpH:
99.15
4larL-4gqpH:
100.00
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.
4PFJ_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN
(Escherichia
coli) 		5 / 12 GLU B1020
ASP B1067
LEU B 924
GLY B 952
HIS B 956
 None
CA  B4000 (-3.1A)
None
None
CA  B4000 (-4.0A)
 1.47A 4pfjB-3k70B:
undetectable		 4pfjB-3k70B:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QTU_D_SAMD301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		5 / 12 GLY B 383
GLY B 333
ILE B 381
ILE B 390
ALA B 386
 CLA  B1226 (-3.4A)
BCR  B4008 ( 4.6A)
CLA  B1222 (-3.7A)
CLA  B1226 (-4.3A)
CLA  B1226 ( 4.4A)
 1.07A 4qtuD-6fosB:
undetectable		 4qtuD-6fosB:
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.
4RTS_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 5gzt CHITINASE
(Paenibacillus
sp.
FPU-7) 		5 / 12 GLY B1142
GLY B1136
ILE B1223
SER B1225
PRO B1179
 FMT  B4007 (-3.4A)
None
None
None
None
 1.24A 4rtsA-5gztB:
undetectable		 4rtsA-5gztB:
13.77
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.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)		 5gzt CHITINASE
(Paenibacillus
sp.
FPU-7) 		4 / 5 GLY B 333
THR B 332
GLY B 314
GLU B 326
 NA  B4001 ( 4.3A)
None
None
NA  B4001 (-2.6A)
 1.13A 4v20A-5gztB:
undetectable		 4v20A-5gztB:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ACL_A_SASA1111_1
(MCG)		 4gqp ANTI-METH SCFV
(Mus
musculus) 		4 / 7 TYR H  94
SER H  35
TYR H  47
TYR H  33
 None
B40  H1201 (-3.4A)
B40  H1201 (-4.6A)
B40  H1201 (-3.7A)
 0.96A 5aclA-4gqpH:
17.5		 5aclA-4gqpH:
25.64
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.
5DZK_R_BEZR801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 5gzt CHITINASE
(Paenibacillus
sp.
FPU-7) 		4 / 7 PHE B1197
SER B1144
ALA B1147
PRO B1179
 None
FMT  B4007 (-4.8A)
None
None
 0.94A 5dzkD-5gztB:
1.9
5dzkR-5gztB:
undetectable		 5dzkD-5gztB:
11.94
5dzkR-5gztB:
3.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_R_BEZR801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 5gzt CHITINASE
(Paenibacillus
sp.
FPU-7) 		4 / 8 PHE B1197
SER B1144
ALA B1147
PRO B1179
 None
FMT  B4007 (-4.8A)
None
None
 0.95A 5dzkd-5gztB:
1.6
5dzkr-5gztB:
undetectable		 5dzkd-5gztB:
11.94
5dzkr-5gztB:
3.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_T_BEZT801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 5gzt CHITINASE
(Paenibacillus
sp.
FPU-7) 		4 / 8 PHE B1197
SER B1144
ALA B1147
PRO B1179
 None
FMT  B4007 (-4.8A)
None
None
 0.94A 5dzkF-5gztB:
1.6
5dzkT-5gztB:
undetectable		 5dzkF-5gztB:
11.94
5dzkT-5gztB:
3.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ENT_C_MIYC901_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		5 / 9 GLY B 227
SER B 228
GLU B 230
ILE B 276
ALA B 217
 None
None
NAG  B4021 (-3.7A)
None
None
 1.20A 5entC-5aw4B:
undetectable		 5entC-5aw4B:
16.53
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.
5KPR_A_PAUA404_0
(PANTOTHENATE KINASE
3)		 3rwo GTP-BINDING PROTEIN
YPT32/YPT11
(Saccharomyces
cerevisiae) 		4 / 5 GLU B  73
GLY B  20
SER B  22
GLY B  23
 None
None
None
GDP  B4032 (-3.4A)
 0.96A 5kprA-3rwoB:
undetectable		 5kprA-3rwoB:
19.63
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.
5MUG_A_VIVA301_1
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		3 / 3 SER B 340
SER B 344
PHE B 385
 None
CLA  B1222 (-3.3A)
BCR  B4008 (-4.8A)
 0.93A 5mugA-6fosB:
undetectable		 5mugA-6fosB:
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.
5VOO_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3v4v INTEGRIN BETA-7
(Homo
sapiens) 		5 / 12 GLU B 240
GLY B 241
LEU B 193
GLY B 234
SER B 142
 0DU  B4000 (-3.3A)
None
None
0DU  B4000 (-3.4A)
MG  B2001 ( 2.9A)
 1.06A 5vooA-3v4vB:
2.6		 5vooA-3v4vB:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3v4v INTEGRIN BETA-7
(Homo
sapiens) 		5 / 12 GLU B 240
GLY B 241
LEU B 193
GLY B 234
SER B 142
 0DU  B4000 (-3.3A)
None
None
0DU  B4000 (-3.4A)
MG  B2001 ( 2.9A)
 1.09A 5vooB-3v4vB:
2.6		 5vooB-3v4vB:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_C_C2FC702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3v4v INTEGRIN BETA-7
(Homo
sapiens) 		5 / 12 GLU B 240
GLY B 241
LEU B 193
GLY B 234
SER B 142
 0DU  B4000 (-3.3A)
None
None
0DU  B4000 (-3.4A)
MG  B2001 ( 2.9A)
 1.06A 5vooC-3v4vB:
2.4		 5vooC-3v4vB:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3v4v INTEGRIN BETA-7
(Homo
sapiens) 		5 / 12 GLU B 240
GLY B 241
LEU B 193
GLY B 234
SER B 142
 0DU  B4000 (-3.3A)
None
None
0DU  B4000 (-3.4A)
MG  B2001 ( 2.9A)
 1.09A 5vooD-3v4vB:
2.8		 5vooD-3v4vB:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3v4v INTEGRIN BETA-7
(Homo
sapiens) 		5 / 12 GLU B 240
GLY B 241
ASP B 237
GLY B 234
SER B 142
 0DU  B4000 (-3.3A)
None
CA  B2003 ( 3.6A)
0DU  B4000 (-3.4A)
MG  B2001 ( 2.9A)
 1.17A 5vooE-3v4vB:
2.3		 5vooE-3v4vB:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3v4v INTEGRIN BETA-7
(Homo
sapiens) 		5 / 12 GLU B 240
GLY B 241
LEU B 193
GLY B 234
SER B 142
 0DU  B4000 (-3.3A)
None
None
0DU  B4000 (-3.4A)
MG  B2001 ( 2.9A)
 1.18A 5vooE-3v4vB:
2.3		 5vooE-3v4vB:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3v4v INTEGRIN BETA-7
(Homo
sapiens) 		5 / 12 GLU B 240
GLY B 241
LEU B 193
GLY B 234
SER B 142
 0DU  B4000 (-3.3A)
None
None
0DU  B4000 (-3.4A)
MG  B2001 ( 2.9A)
 1.15A 5vooF-3v4vB:
2.8		 5vooF-3v4vB:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3v4v INTEGRIN BETA-7
(Homo
sapiens) 		5 / 12 GLU B 240
GLY B 241
LEU B 193
GLY B 234
SER B 142
 0DU  B4000 (-3.3A)
None
None
0DU  B4000 (-3.4A)
MG  B2001 ( 2.9A)
 1.07A 5vopA-3v4vB:
undetectable		 5vopA-3v4vB:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3v4v INTEGRIN BETA-7
(Homo
sapiens) 		5 / 12 GLU B 240
GLY B 241
LEU B 193
GLY B 234
SER B 142
 0DU  B4000 (-3.3A)
None
None
0DU  B4000 (-3.4A)
MG  B2001 ( 2.9A)
 1.19A 5vopB-3v4vB:
2.8		 5vopB-3v4vB:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN
(Escherichia
coli) 		5 / 12 GLU B1020
ASP B1067
LEU B 924
GLY B 952
HIS B 956
 None
CA  B4000 (-3.1A)
None
None
CA  B4000 (-4.0A)
 1.49A 6aphA-3k70B:
undetectable		 6aphA-3k70B:
16.97