SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2np0'

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.
1A4L_D_DCFD1853_2
(ADENOSINE DEAMINASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 4 HIS A 236
LEU A 490
LEU A 103
LEU A 225
 None
 1.02A 1a4lD-2np0A:
undetectable		 1a4lD-2np0A:
14.86
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.
1FML_A_RTLA401_0
(RETINOL DEHYDRATASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 TYR A 719
LEU A 722
LEU A 627
TYR A 622
PHE A 638
 None
 1.30A 1fmlA-2np0A:
undetectable		 1fmlA-2np0A:
13.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I1E_A_DM2A3001_1
(BOTULINUM NEUROTOXIN
TYPE B)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 9 GLU A1188
GLU A1189
GLY A1238
HIS A1240
SER A1259
 None
 1.18A 1i1eA-2np0A:
66.2		 1i1eA-2np0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I1E_A_DM2A3001_1
(BOTULINUM NEUROTOXIN
TYPE B)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 9 GLU A1188
GLU A1189
GLY A1238
SER A1259
TYR A1262
 None
 1.20A 1i1eA-2np0A:
66.2		 1i1eA-2np0A:
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.
1KGL_A_RTLA175_1
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 ILE A 963
THR A 950
TRP A 961
MET A 955
 None
 1.28A 1kglA-2np0A:
undetectable		 1kglA-2np0A:
6.45
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.
1ODI_E_ADNE1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 THR A 901
GLY A 889
GLU A 891
SER A 903
ASN A 905
 None
 1.46A 1odiE-2np0A:
undetectable		 1odiE-2np0A:
10.08
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.
1TDN_A_LEUA487_0
(L-AMINO ACID OXIDASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 ASN A 605
PHE A 600
TYR A 622
ILE A 767
 None
 1.50A 1tdnA-2np0A:
undetectable		 1tdnA-2np0A:
16.67
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 TYR A 198
GLU A 197
LEU A  78
ILE A  86
 None
 0.97A 1tuvA-2np0A:
undetectable		 1tuvA-2np0A:
6.06
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.
1UDT_A_VIAA1000_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 TYR A 622
ALA A 766
ILE A 767
VAL A 620
LEU A 650
 None
 1.16A 1udtA-2np0A:
undetectable		 1udtA-2np0A:
13.64
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.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 ASN A 999
GLU A1286
GLY A1287
PHE A1052
 None
 0.79A 1ykiA-2np0A:
undetectable
1ykiB-2np0A:
undetectable		 1ykiA-2np0A:
9.70
1ykiB-2np0A:
9.70
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.
1YKI_B_NFZB2219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 PHE A1052
ASN A 999
GLU A1286
GLY A1287
 None
 0.81A 1ykiA-2np0A:
undetectable
1ykiB-2np0A:
undetectable		 1ykiA-2np0A:
9.70
1ykiB-2np0A:
9.70
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.
1YKI_C_NFZC3219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 ASN A 999
GLU A1286
GLY A1287
PHE A1052
 None
 0.80A 1ykiC-2np0A:
undetectable
1ykiD-2np0A:
undetectable		 1ykiC-2np0A:
9.70
1ykiD-2np0A:
9.70
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.
1YKI_D_NFZD4219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 PHE A1052
ASN A 999
GLU A1286
GLY A1287
 None
 0.81A 1ykiC-2np0A:
undetectable
1ykiD-2np0A:
undetectable		 1ykiC-2np0A:
9.70
1ykiD-2np0A:
9.70
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.
1YVP_A_ACTA2001_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 5 TYR A 480
SER A 478
THR A 686
ASN A 689
 None
 1.20A 1yvpA-2np0A:
undetectable		 1yvpA-2np0A:
17.36
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.
2AQU_B_DR7B300_2
(HIV-1 PROTEASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 ARG A 868
ASP A 876
GLY A 881
ALA A 882
ILE A 917
 None
 0.86A 2aquB-2np0A:
undetectable		 2aquB-2np0A:
5.96
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.
2DCF_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 ALA A 766
TYR A 622
ILE A 770
ILE A 763
 None
 1.27A 2dcfA-2np0A:
undetectable		 2dcfA-2np0A:
14.27
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.
2GJ5_A_VD3A163_1
(BETA-LACTOGLOBULIN)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 VAL A 629
ILE A 714
LEU A 627
ILE A 770
ALA A 766
 None
 1.07A 2gj5A-2np0A:
undetectable		 2gj5A-2np0A:
9.13
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)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 TYR A 622
ALA A 766
ILE A 767
VAL A 620
LEU A 650
 None
 1.27A 2h42A-2np0A:
undetectable		 2h42A-2np0A:
13.62
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.
2H79_A_T3A1_1
(THRA PROTEIN)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 ILE A  44
ILE A  45
ALA A  35
ALA A 155
ILE A 189
 None
 0.89A 2h79A-2np0A:
undetectable		 2h79A-2np0A:
11.68
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.
2NNH_A_9CRA501_1
(CYTOCHROME P450 2C8)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 SER A 780
ILE A 649
SER A 648
ALA A 641
ILE A 616
 None
 1.03A 2nnhA-2np0A:
undetectable		 2nnhA-2np0A:
16.61
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.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 LEU A 351
TYR A 239
GLY A 187
 None
 0.58A 2ocuA-2np0A:
undetectable		 2ocuA-2np0A:
13.29
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.
2PRG_A_BRLA1_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 ILE A 951
ILE A 933
LEU A 874
 None
 0.55A 2prgA-2np0A:
undetectable		 2prgA-2np0A:
12.29
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.
2QEB_A_HSMA145_1
(D7R4 PROTEIN)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 ILE A 287
TYR A 288
PHE A 344
ASP A 345
 None
 1.08A 2qebA-2np0A:
undetectable		 2qebA-2np0A:
7.88
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.
2QEB_B_HSMB145_1
(D7R4 PROTEIN)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 ILE A 287
TYR A 288
PHE A 344
ASP A 345
 None
 1.09A 2qebB-2np0A:
undetectable		 2qebB-2np0A:
7.88
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.
2W98_B_P1ZB1358_1
(PROSTAGLANDIN
REDUCTASE 2)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 ASP A1164
TYR A1165
TYR A1167
LEU A1168
 None
 1.10A 2w98A-2np0A:
undetectable
2w98B-2np0A:
undetectable		 2w98A-2np0A:
14.12
2w98B-2np0A:
14.12
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.
2W98_B_P1ZB1358_1
(PROSTAGLANDIN
REDUCTASE 2)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 TYR A1182
TYR A1180
PHE A1256
LEU A1194
 None
 1.06A 2w98A-2np0A:
undetectable
2w98B-2np0A:
undetectable		 2w98A-2np0A:
14.12
2w98B-2np0A:
14.12
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.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 ILE A 111
ASN A 363
LEU A 235
ILE A 232
THR A 171
 None
 1.20A 3a50B-2np0A:
2.7		 3a50B-2np0A:
15.09
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.
3A50_C_VD3C2001_1
(VITAMIN D
HYDROXYLASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 ILE A 111
ASN A 363
LEU A 235
ILE A 232
THR A 171
 None
 1.20A 3a50C-2np0A:
undetectable		 3a50C-2np0A:
15.09
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.
3AOC_C_ERYC3402_0
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 SER A1023
SER A 964
MET A1055
ILE A1053
LEU A 974
 None
 1.34A 3aocC-2np0A:
1.0		 3aocC-2np0A:
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.
3DH0_A_SAMA220_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 TYR A 880
ASP A 615
GLU A1072
GLU A 858
 None
 1.40A 3dh0A-2np0A:
undetectable		 3dh0A-2np0A:
10.23
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.
3EM4_V_DR7V100_1
(PROTEASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 ARG A 868
ASP A 876
GLY A 881
ALA A 882
ILE A 917
 None
 0.88A 3em4U-2np0A:
undetectable		 3em4U-2np0A:
5.15
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.
3GWS_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 ILE A  44
ILE A  45
ALA A  35
ALA A 155
ILE A 189
 None
 0.87A 3gwsX-2np0A:
undetectable		 3gwsX-2np0A:
12.04
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.
3ID6_C_SAMC301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 GLY A1045
SER A 964
ASP A1046
ILE A1047
GLN A1051
 None
 0.89A 3id6C-2np0A:
undetectable		 3id6C-2np0A:
11.12
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.
3KEC_B_HAEB271_1
(COLLAGENASE 3)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 HIS A 229
GLU A 230
HIS A 233
 ZN  A1291 (-3.5A)
ZN  A1291 ( 4.6A)
ZN  A1291 (-3.4A)
 0.20A 3kecB-2np0A:
undetectable		 3kecB-2np0A:
8.54
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.
3OXC_A_ROCA401_3
(PROTEASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 ARG A 868
ASP A 876
GLY A 881
ALA A 882
ILE A 917
 None
 0.92A 3oxcB-2np0A:
undetectable		 3oxcB-2np0A:
5.80
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.
3R24_A_SAMA302_1
(2'-O-METHYL
TRANSFERASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 TYR A 288
ASP A 340
ASP A 345
 None
 0.72A 3r24A-2np0A:
undetectable		 3r24A-2np0A:
14.09
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.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 ILE A 366
TYR A 391
LEU A 385
PHE A 397
 None
 1.06A 3rqwI-2np0A:
undetectable
3rqwJ-2np0A:
undetectable		 3rqwI-2np0A:
13.94
3rqwJ-2np0A:
13.94
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.
3TMZ_A_06XA503_1
(CYTOCHROME P450 2B4)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 ILE A  42
ILE A  98
PHE A 194
ILE A 159
VAL A 234
 None
 1.03A 3tmzA-2np0A:
2.0		 3tmzA-2np0A:
16.45
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.
3TMZ_A_06XA503_1
(CYTOCHROME P450 2B4)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 ILE A  98
PHE A 194
ILE A 159
ALA A 224
VAL A 234
 None
 1.02A 3tmzA-2np0A:
2.0		 3tmzA-2np0A:
16.45
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.
3TPX_E_ACTE204_0
(E3 UBIQUITIN-PROTEIN
LIGASE MDM2)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 LYS A 101
PRO A 102
LEU A 103
 None
 0.64A 3tpxE-2np0A:
undetectable		 3tpxE-2np0A:
5.54
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.
3VW1_D_CVID301_0
(PUTATIVE REGULATORY
PROTEIN)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 LEU A 759
THR A 579
ILE A 596
ILE A 763
ALA A 766
 None
 1.07A 3vw1D-2np0A:
0.9		 3vw1D-2np0A:
8.67
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.
4AFG_A_QMRA1214_1
(CAPITELLA TELETA
ACHBP)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 9 TYR A 327
TYR A 239
ILE A 112
ILE A 115
PHE A 323
 None
 1.45A 4afgA-2np0A:
0.0
4afgB-2np0A:
0.0		 4afgA-2np0A:
11.22
4afgB-2np0A:
11.22
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.
4AFG_B_QMRB1214_1
(CAPITELLA TELETA
ACHBP)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 9 ILE A 189
ILE A 115
PHE A 323
PHE A 128
TYR A 117
 None
 1.44A 4afgA-2np0A:
0.0
4afgE-2np0A:
0.0		 4afgA-2np0A:
11.22
4afgE-2np0A:
11.22
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.
4AFG_D_QMRD1214_1
(CAPITELLA TELETA
ACHBP)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 9 TYR A 327
TYR A 239
ILE A 112
ILE A 115
PHE A 323
 None
 1.44A 4afgC-2np0A:
0.0
4afgD-2np0A:
0.0		 4afgC-2np0A:
11.22
4afgD-2np0A:
11.22
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.
4AZV_A_SAMA1474_0
(WBDD)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 ILE A 933
ILE A 970
SER A 928
VAL A1004
ILE A1015
 None
 0.98A 4azvA-2np0A:
undetectable		 4azvA-2np0A:
17.88
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.
4CEV_B_GAIB408_0
(PROTEIN (ARGINASE))		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 5 ARG A 122
HIS A 179
GLU A 184
ASP A 120
 None
 1.16A 4cevB-2np0A:
0.0
4cevC-2np0A:
0.0		 4cevB-2np0A:
12.07
4cevC-2np0A:
12.07
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.
4CEV_F_GAIF412_0
(PROTEIN (ARGINASE))		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 5 ASP A 120
ARG A 122
HIS A 179
GLU A 184
 None
 1.14A 4cevD-2np0A:
0.0
4cevF-2np0A:
0.0		 4cevD-2np0A:
12.07
4cevF-2np0A:
12.07
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.
4DAJ_B_0HKB2000_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR M3,
LYSOZYME)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 ASN A1011
LEU A 974
PHE A 922
 None
 0.77A 4dajB-2np0A:
undetectable		 4dajB-2np0A:
15.98
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.
4EYR_B_RITB301_1
(HIV-1 PROTEASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 LEU A 238
ASN A 156
VAL A 135
ILE A 318
 None
 0.98A 4eyrA-2np0A:
undetectable		 4eyrA-2np0A:
5.39
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 TYR A1139
LEU A1138
ASN A 999
TYR A 936
 None
 1.25A 4f8yC-2np0A:
undetectable
4f8yD-2np0A:
undetectable		 4f8yC-2np0A:
9.44
4f8yD-2np0A:
9.44
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 GLY A 104
TYR A 364
ASN A 363
GLU A 109
 None
 1.06A 4fgkB-2np0A:
undetectable		 4fgkB-2np0A:
10.54
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.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 ILE A 415
GLY A 410
ILE A 390
MET A 404
ILE A 382
 None
 1.16A 4iv0B-2np0A:
undetectable		 4iv0B-2np0A:
13.20
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 PHE A 271
ASP A 275
SER A 374
ARG A 369
 None
 1.17A 4lv9A-2np0A:
undetectable
4lv9B-2np0A:
undetectable		 4lv9A-2np0A:
17.05
4lv9B-2np0A:
17.05
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.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 ASN A 999
ILE A 951
LEU A1043
GLY A 967
ASN A 989
 None
 1.10A 4o1eA-2np0A:
undetectable		 4o1eA-2np0A:
12.30
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.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 ASN A 999
ILE A 951
LEU A1043
GLY A 967
ASN A 989
 None
 1.09A 4o1eB-2np0A:
undetectable		 4o1eB-2np0A:
12.30
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.
4OLT_B_GCSB302_1
(CHITOSANASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 5 THR A 280
THR A 283
ASP A 284
TYR A 269
 None
None
CA  A1292 (-2.5A)
None
 1.04A 4oltB-2np0A:
undetectable		 4oltB-2np0A:
11.59
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.
4UY8_7_TRP71002_0
(TRYPTOPHANASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 4 ILE A 577
ASN A 581
ILE A 552
VAL A 568
 None
None
None
CA  A1293 ( 4.9A)
 1.29A 4uy87-2np0A:
undetectable		 4uy87-2np0A:
1.83
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.
4XR4_B_AG2B511_1
(HOMOSPERMIDINE
SYNTHASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 VAL A 135
PHE A 128
ARG A 301
 None
 0.95A 4xr4B-2np0A:
undetectable		 4xr4B-2np0A:
15.34
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.
5CSW_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 PHE A 898
ILE A 908
ASP A 888
 None
 0.72A 5cswA-2np0A:
undetectable		 5cswA-2np0A:
12.55
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.
5CSW_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 PHE A 898
ILE A 908
ASP A 888
 None
 0.76A 5cswB-2np0A:
2.1		 5cswB-2np0A:
12.55
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.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 THR A 358
ASP A 275
GLU A 267
 None
None
ZN  A1291 (-2.3A)
 0.84A 5fa8A-2np0A:
undetectable		 5fa8A-2np0A:
8.91
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.
5HGC_A_HCYA501_1
(SERPIN)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 VAL A 249
PRO A 250
ALA A 457
THR A 283
ILE A 278
 None
 1.25A 5hgcA-2np0A:
undetectable		 5hgcA-2np0A:
14.39
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 LYS A 854
GLN A 206
ASN A 771
 None
 0.99A 5l2tA-2np0A:
undetectable		 5l2tA-2np0A:
12.31
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.
5LJC_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 ILE A 963
THR A 950
TRP A 961
MET A 955
 None
 1.43A 5ljcA-2np0A:
undetectable		 5ljcA-2np0A:
7.11
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.
5N0T_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 4 TYR A1093
SER A1150
GLN A1208
THR A1206
 None
 1.48A 5n0tB-2np0A:
0.0		 5n0tB-2np0A:
14.09
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.
5TL8_A_X2NA502_2
(PROTEIN CYP51)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 TYR A 198
PRO A 378
LEU A 377
LEU A 428
 None
 1.18A 5tl8A-2np0A:
undetectable		 5tl8A-2np0A:
16.56
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.
5VKQ_A_PCFA1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 ILE A  92
ILE A 158
LEU A 157
PHE A  51
 None
 1.08A 5vkqA-2np0A:
1.5
5vkqB-2np0A:
1.6		 5vkqA-2np0A:
21.64
5vkqB-2np0A:
21.64
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.
5VKQ_D_PCFD1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 PHE A  51
ILE A  92
ILE A 158
LEU A 157
 None
 1.08A 5vkqA-2np0A:
1.5
5vkqD-2np0A:
1.6		 5vkqA-2np0A:
21.64
5vkqD-2np0A:
21.64
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.
6BER_A_DVAA2_0
(E(DVA)DP(DGL)(DHI)(D
PR)N(DAL)(DPR))		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 GLU A 267
ASP A 275
PRO A 276
 ZN  A1291 (-2.3A)
None
None
 0.76A 6berA-2np0A:
undetectable		 6berA-2np0A:
3.37
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.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 ILE A 847
ASN A 772
CYH A 777
 None
 0.93A 6bp4A-2np0A:
undetectable		 6bp4A-2np0A:
12.91
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.
6ECE_C_DVAC3010_0
(VLM2
DODECADEPSIPEPTIDE)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 ALA A  35
PHE A 160
GLN A 191
 None
 0.80A 6eceA-2np0A:
undetectable		 6eceA-2np0A:
14.29
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.
6FGD_A_ACTA824_0
(GEPHYRIN)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 4 LEU A  94
ASP A 222
PRO A 223
ARG A  97
 None
 1.36A 6fgdA-2np0A:
undetectable		 6fgdA-2np0A:
15.85
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.
6FGD_A_ACTA824_0
(GEPHYRIN)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 4 LEU A 385
ASP A 222
PRO A 223
ARG A  97
 None
 0.93A 6fgdA-2np0A:
undetectable		 6fgdA-2np0A:
15.85
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.
6FGD_A_D8ZA831_0
(GEPHYRIN)		 2np0 BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 PHE A 355
ILE A 360
LEU A 351
ILE A 497
TYR A 239
 None
 1.48A 6fgdA-2np0A:
0.0		 6fgdA-2np0A:
4.65