SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5bqn'

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.
1N49_B_RITB301_1
(PROTEASE)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		4 / 7 ASP A 397
GLY A 405
PRO A 419
ALA A 420
 None
 0.76A 1n49A-5bqnA:
undetectable		 1n49A-5bqnA:
8.08
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.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		5 / 10 LEU A 192
ILE A  91
ILE A  97
VAL A 156
ILE A 158
 None
 0.95A 1sdtA-5bqnA:
undetectable		 1sdtA-5bqnA:
9.01
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		4 / 4 LEU A 424
PRO A  61
ILE A 165
LEU A 166
 None
 1.14A 1ya4C-5bqnA:
undetectable		 1ya4C-5bqnA:
21.12
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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		4 / 6 SER A 590
PHE A 587
ASN A 618
ASP A 614
 None
 0.93A 1yc2A-5bqnA:
undetectable		 1yc2A-5bqnA:
15.28
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		4 / 7 SER A 478
PHE A 482
GLY A 678
ILE A 487
 None
 1.05A 2bdmA-5bqnA:
undetectable		 2bdmA-5bqnA:
20.70
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.
2O4P_A_TPVA300_2
(PROTEASE)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		5 / 9 LEU A 192
VAL A  45
ILE A  97
VAL A 156
ILE A 158
 None
 0.78A 2o4pB-5bqnA:
undetectable		 2o4pB-5bqnA:
10.65
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.
2R5P_B_MK1B902_1
(PROTEASE)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		5 / 12 LEU A 192
VAL A  45
ILE A  97
VAL A 156
ILE A 158
 None
 0.91A 2r5pA-5bqnA:
undetectable		 2r5pA-5bqnA:
8.38
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.
2R5P_D_MK1D902_1
(PROTEASE)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		5 / 12 LEU A 192
VAL A  45
ILE A  97
VAL A 156
ILE A 158
 None
 0.91A 2r5pC-5bqnA:
undetectable		 2r5pC-5bqnA:
8.38
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.
2VCT_D_ASDD1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		4 / 7 TYR A 367
ILE A 102
GLY A 103
LEU A 110
 None
 0.97A 2vctD-5bqnA:
1.8		 2vctD-5bqnA:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZIF_B_SAMB298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		5 / 12 ALA A  36
ALA A 195
PRO A 196
GLY A 160
LEU A 157
 None
 1.13A 2zifB-5bqnA:
undetectable		 2zifB-5bqnA:
15.58
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		4 / 4 LEU A 591
GLN A 559
THR A 586
THR A 616
 None
 1.47A 2zj0D-5bqnA:
undetectable		 2zj0D-5bqnA:
19.64
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		3 / 3 LEU A 276
GLU A 869
ILE A 866
 None
 0.59A 3czhA-5bqnA:
undetectable		 3czhA-5bqnA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKQ_A_ROCA100_2
(PROTEASE)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		5 / 9 LEU A 192
VAL A  45
ILE A  91
ILE A  97
ILE A 158
 None
 0.95A 3ekqB-5bqnA:
undetectable		 3ekqB-5bqnA:
9.01
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.
3FPJ_B_SAMB301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		5 / 12 ILE A 158
VAL A 156
ILE A 191
ILE A 136
VAL A 194
 None
 1.14A 3fpjB-5bqnA:
undetectable		 3fpjB-5bqnA:
16.25
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.
3G9E_A_RO7A1_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		5 / 12 SER A 155
VAL A   5
ILE A  39
LEU A 238
TYR A 239
 None
 1.23A 3g9eA-5bqnA:
undetectable		 3g9eA-5bqnA:
14.40
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.
3KEE_D_30BD500_2
(GENOME POLYPROTEIN)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		4 / 4 PHE A 257
TYR A 470
VAL A 662
LEU A 665
 None
 1.13A 3keeD-5bqnA:
undetectable		 3keeD-5bqnA:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O1C_A_ADNA127_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		5 / 10 ILE A  39
PHE A  94
ILE A  90
SER A 155
LEU A 231
 None
 1.20A 3o1cA-5bqnA:
undetectable		 3o1cA-5bqnA:
8.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACA_C_DXCC1480_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		4 / 4 LYS A 216
GLU A 416
ILE A 218
SER A 203
 None
 1.38A 4acaC-5bqnA:
undetectable		 4acaC-5bqnA:
20.38
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.
4ACB_C_DXCC1480_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		4 / 4 LYS A 216
GLU A 416
ILE A 218
SER A 203
 None
 1.34A 4acbC-5bqnA:
1.0		 4acbC-5bqnA:
20.38
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.
4QYN_B_RTLB201_0
(RETINOL-BINDING
PROTEIN 2)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		5 / 12 PHE A  94
THR A 272
LEU A 192
LEU A 106
LEU A 110
 None
 1.38A 4qynB-5bqnA:
undetectable		 4qynB-5bqnA:
8.46
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.
4V2Z_C_Y70C151_1
(CEREBLON ISOFORM 4)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		4 / 8 PRO A 244
PHE A 267
PHE A 183
TYR A 351
 None
 1.24A 4v2zC-5bqnA:
undetectable		 4v2zC-5bqnA:
9.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W9N_C_CCSC1548_0
(ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		3 / 3 ALA A  36
TRP A  44
VAL A  45
 None
 0.21A 4w9nC-5bqnA:
undetectable		 4w9nC-5bqnA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YJI_A_TYLA502_1
(ARYL ACYLAMIDASE)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		4 / 7 LEU A 354
GLY A 240
GLY A 185
ILE A 300
 None
 0.73A 4yjiA-5bqnA:
undetectable		 4yjiA-5bqnA:
18.69
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.
5EWU_A_BEZA1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		4 / 6 GLY A 274
SER A 359
VAL A 361
HIS A 229
 None
 1.12A 5ewuA-5bqnA:
undetectable		 5ewuA-5bqnA:
19.37
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.
5KR1_B_017B101_2
(PROTEASE PR5-DRV)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		5 / 8 GLY A 668
ASP A 548
VAL A 547
GLY A 645
ILE A 644
 None
 1.49A 5kr1B-5bqnA:
undetectable		 5kr1B-5bqnA:
8.88
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.
5V1T_A_SAMA605_0
(RADICAL SAM)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		5 / 12 PHE A 202
SER A 411
ASN A 414
THR A 373
GLU A 416
 None
 1.36A 5v1tA-5bqnA:
undetectable		 5v1tA-5bqnA:
20.65
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D
(Clostridium
botulinum) 		3 / 3 GLY A  89
THR A 201
PRO A 223
 None
 0.50A 5v5zA-5bqnA:
undetectable		 5v5zA-5bqnA:
21.36