SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2nz9'

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.
1GTI_B_CCSB47_0
(GLUTATHIONE
S-TRANSFERASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 7 THR A 109
LEU A 107
GLY A 104
TYR A 349
None
0.93A 1gtiB-2nz9A:
undetectable
1gtiB-2nz9A:
9.98
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.
1GTI_D_CCSD47_0
(GLUTATHIONE
S-TRANSFERASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 7 THR A 109
LEU A 107
GLY A 104
TYR A 349
None
1.00A 1gtiD-2nz9A:
undetectable
1gtiD-2nz9A:
9.98
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.
1GTI_E_CCSE47_0
(GLUTATHIONE
S-TRANSFERASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 7 THR A 109
LEU A 107
GLY A 104
TYR A 349
None
1.04A 1gtiE-2nz9A:
2.3
1gtiE-2nz9A:
9.98
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.
1GTI_F_CCSF47_0
(GLUTATHIONE
S-TRANSFERASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 5 THR A 109
LEU A 107
GLY A 104
TYR A 349
None
0.92A 1gtiF-2nz9A:
undetectable
1gtiF-2nz9A:
9.98
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.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 12 THR A 220
HIS A 223
GLU A 224
HIS A 227
GLU A 262
None
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
ZN  A   1 (-3.3A)
ZN  A   1 (-2.0A)
0.53A 1j36A-2nz9A:
5.6
1j36A-2nz9A:
19.15
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.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 12 THR A 220
HIS A 223
GLU A 224
HIS A 227
GLU A 262
None
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
ZN  A   1 (-3.3A)
ZN  A   1 (-2.0A)
0.53A 1j36B-2nz9A:
2.2
1j36B-2nz9A:
19.15
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.
1J96_A_TESA903_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 6 TYR A  77
VAL A 379
ILE A 378
LEU A 416
None
1.15A 1j96A-2nz9A:
undetectable
1j96A-2nz9A:
13.72
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.
1LHV_A_NOGA301_1
(SEX HORMONE-BINDING
GLOBULIN)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 SER A 922
ASP A 910
PHE A 906
ASN A 912
None
1.11A 1lhvA-2nz9A:
9.0
1lhvA-2nz9A:
9.43
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.
1SBR_B_VIBB503_1
(YKOF)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 7 SER A1027
ILE A 983
ILE A1029
THR A1020
None
0.82A 1sbrB-2nz9A:
undetectable
1sbrB-2nz9A:
8.63
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.
1SKX_A_RFPA1_2
(ORPHAN NUCLEAR
RECEPTOR PXR)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 5 LYS A  84
PHE A 163
LEU A  78
LEU A 151
None
1.47A 1skxA-2nz9A:
undetectable
1skxA-2nz9A:
13.38
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.
1UTD_Q_TRPQ81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 10 GLY A 229
HIS A 230
HIS A 227
ILE A 111
THR A 265
None
None
ZN  A   1 (-3.3A)
None
None
1.24A 1utdQ-2nz9A:
undetectable
1utdR-2nz9A:
undetectable
1utdQ-2nz9A:
4.73
1utdR-2nz9A:
4.73
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 GLU A 262
HIS A 223
HIS A 227
GLU A 224
ZN  A   1 (-2.0A)
ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
0.90A 1v7zA-2nz9A:
undetectable
1v7zA-2nz9A:
10.56
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 GLU A 262
HIS A 223
HIS A 227
GLU A 224
ZN  A   1 (-2.0A)
ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
0.90A 1v7zB-2nz9A:
undetectable
1v7zB-2nz9A:
10.56
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 GLU A 262
HIS A 223
HIS A 227
GLU A 224
ZN  A   1 (-2.0A)
ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
0.91A 1v7zC-2nz9A:
undetectable
1v7zC-2nz9A:
10.56
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 GLU A 262
HIS A 223
HIS A 227
GLU A 224
ZN  A   1 (-2.0A)
ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
0.93A 1v7zD-2nz9A:
undetectable
1v7zD-2nz9A:
10.56
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 GLU A 262
HIS A 223
HIS A 227
GLU A 224
ZN  A   1 (-2.0A)
ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
0.93A 1v7zE-2nz9A:
undetectable
1v7zE-2nz9A:
10.56
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 GLU A 262
HIS A 223
HIS A 227
GLU A 224
ZN  A   1 (-2.0A)
ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
0.92A 1v7zF-2nz9A:
undetectable
1v7zF-2nz9A:
10.56
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.
2BM9_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
3 / 3 ASP A  18
ASP A  12
ASN A   5
None
0.73A 2bm9D-2nz9A:
undetectable
2bm9D-2nz9A:
10.37
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.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
3 / 3 LEU A 345
TYR A 233
GLY A 181
None
0.60A 2ocuA-2nz9A:
undetectable
2ocuA-2nz9A:
13.70
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.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 7 GLN A1003
TYR A1001
TYR A 962
ILE A 964
None
1.06A 2ph9A-2nz9A:
undetectable
2ph9B-2nz9A:
undetectable
2ph9A-2nz9A:
9.65
2ph9B-2nz9A:
9.65
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.
2YFB_A_ACTA501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 7 ASP A1171
ARG A1175
ILE A1096
TYR A1107
None
1.07A 2yfbA-2nz9A:
3.1
2yfbA-2nz9A:
10.84
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.
2YFB_B_ACTB501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 6 ASP A1171
ARG A1175
ILE A1096
TYR A1107
None
1.12A 2yfbB-2nz9A:
3.2
2yfbB-2nz9A:
10.84
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 GLU A 262
HIS A 223
HIS A 227
GLU A 224
ZN  A   1 (-2.0A)
ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
0.92A 3a6jA-2nz9A:
undetectable
3a6jA-2nz9A:
10.49
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 7 GLU A 262
HIS A 223
HIS A 227
GLU A 224
ZN  A   1 (-2.0A)
ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
0.90A 3a6jB-2nz9A:
undetectable
3a6jB-2nz9A:
10.49
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 GLU A 262
HIS A 223
HIS A 227
GLU A 224
ZN  A   1 (-2.0A)
ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
0.91A 3a6jC-2nz9A:
undetectable
3a6jC-2nz9A:
10.49
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 GLU A 262
HIS A 223
HIS A 227
GLU A 224
ZN  A   1 (-2.0A)
ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
0.94A 3a6jE-2nz9A:
undetectable
3a6jE-2nz9A:
10.49
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.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 GLU A 262
HIS A 223
HIS A 227
GLU A 224
ZN  A   1 (-2.0A)
ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
0.90A 3a6jF-2nz9A:
undetectable
3a6jF-2nz9A:
10.49
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)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
3 / 3 HIS A 223
GLU A 224
HIS A 227
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
ZN  A   1 (-3.3A)
0.18A 3kecB-2nz9A:
undetectable
3kecB-2nz9A:
8.21
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.
3LM8_B_VIBB223_1
(THIAMINE
PYROPHOSPHOKINASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 7 LEU A 208
LEU A 361
ASN A 405
THR A 193
None
1.04A 3lm8B-2nz9A:
undetectable
3lm8D-2nz9A:
undetectable
3lm8B-2nz9A:
10.87
3lm8D-2nz9A:
10.87
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.
3LN1_B_CELB682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 7 LEU A 891
SER A 892
LEU A 656
ILE A 889
None
0.94A 3ln1B-2nz9A:
undetectable
3ln1B-2nz9A:
17.26
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.
3NDI_A_SAMA601_0
(METHYLTRANSFERASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 12 TYR A  10
PHE A  51
ILE A 153
PHE A 188
ILE A  38
None
1.30A 3ndiA-2nz9A:
undetectable
3ndiA-2nz9A:
14.60
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.
3T3R_B_9PLB501_1
(CYTOCHROME P450 2A6)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 9 PHE A1055
PHE A1072
ASN A 966
ILE A1053
THR A 943
None
1.30A 3t3rB-2nz9A:
undetectable
3t3rB-2nz9A:
17.03
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.
3T3R_C_9PLC501_1
(CYTOCHROME P450 2A6)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 9 PHE A1055
PHE A1072
ASN A 966
ILE A1053
THR A 943
None
1.32A 3t3rC-2nz9A:
undetectable
3t3rC-2nz9A:
17.03
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.
3T3R_D_9PLD501_1
(CYTOCHROME P450 2A6)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 10 PHE A1055
PHE A1072
ASN A 966
ILE A1053
THR A 943
None
1.36A 3t3rD-2nz9A:
undetectable
3t3rD-2nz9A:
17.03
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.
3W67_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 11 SER A 794
SER A 799
ILE A 725
VAL A 721
LEU A 665
None
1.14A 3w67A-2nz9A:
undetectable
3w67A-2nz9A:
12.00
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.
3W67_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 12 TYR A1001
ILE A1015
SER A 957
ILE A 964
LEU A1057
None
1.10A 3w67C-2nz9A:
undetectable
3w67C-2nz9A:
12.00
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.
4AGA_A_ACTA1131_0
(LYSOZYME C)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
3 / 3 ASN A1238
ASP A1246
ASN A1268
None
0.74A 4agaA-2nz9A:
undetectable
4agaA-2nz9A:
6.58
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.
4C9W_A_VGHA1158_1
(7,8-DIHYDRO-8-OXOGUA
NINE TRIPHOSPHATASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 12 LEU A1261
PHE A1160
PHE A1284
MET A1113
VAL A1123
None
1.49A 4c9wA-2nz9A:
0.0
4c9wA-2nz9A:
8.15
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.
4MK4_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 10 LEU A 656
LEU A 664
LEU A 665
ILE A 630
THR A 723
None
1.42A 4mk4A-2nz9A:
undetectable
4mk4A-2nz9A:
13.76
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.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 12 LEU A 107
LEU A 108
GLY A 104
VAL A 219
ILE A 499
None
1.05A 4ok1A-2nz9A:
undetectable
4ok1A-2nz9A:
10.69
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.
4OKT_A_198A1001_1
(ANDROGEN RECEPTOR)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 12 LEU A 107
LEU A 108
GLY A 104
VAL A 219
ILE A 499
None
1.06A 4oktA-2nz9A:
undetectable
4oktA-2nz9A:
10.69
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.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 12 GLN A 988
LEU A 987
ASN A 970
ALA A1049
ASN A 935
None
1.19A 4pclB-2nz9A:
undetectable
4pclB-2nz9A:
10.57
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.
4PD9_A_ADNA501_2
(NUPC FAMILY PROTEIN)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
3 / 3 THR A 101
ASN A 391
PHE A 390
None
0.52A 4pd9A-2nz9A:
undetectable
4pd9A-2nz9A:
15.74
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.
4PD9_A_ADNA501_2
(NUPC FAMILY PROTEIN)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
3 / 3 THR A 385
ASN A 402
PHE A 401
None
0.83A 4pd9A-2nz9A:
undetectable
4pd9A-2nz9A:
15.74
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.
4S0V_A_SUVA2001_2
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 5 ILE A 138
PRO A  32
TYR A 185
VAL A 152
None
1.30A 4s0vA-2nz9A:
undetectable
4s0vA-2nz9A:
17.25
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.
4UHX_A_LZUA3008_1
(ALDEHYDE OXIDASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 GLU A  47
ASP A  49
ARG A 187
PRO A  46
None
1.07A 4uhxA-2nz9A:
1.6
4uhxA-2nz9A:
22.92
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.
4UHX_A_RTZA3009_1
(ALDEHYDE OXIDASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 GLU A  47
ASP A  49
ARG A 187
PRO A  46
None
1.07A 4uhxA-2nz9A:
1.6
4uhxA-2nz9A:
22.92
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)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
3 / 3 ALA A  35
TRP A  43
VAL A  44
None
0.22A 4w9nC-2nz9A:
undetectable
4w9nC-2nz9A:
13.35
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.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 12 PHE A 273
LEU A 718
PRO A 669
ILE A 668
ARG A 861
None
1.44A 5dlvA-2nz9A:
0.0
5dlvA-2nz9A:
20.71
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.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 12 PHE A 273
LEU A 718
PRO A 669
ILE A 668
ARG A 861
None
1.44A 5dlvB-2nz9A:
undetectable
5dlvB-2nz9A:
20.71
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_W_BEZW801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 5 ILE A 348
GLY A 104
ILE A 499
LEU A 107
None
0.76A 5dzkB-2nz9A:
undetectable
5dzkI-2nz9A:
undetectable
5dzkW-2nz9A:
undetectable
5dzkB-2nz9A:
10.73
5dzkI-2nz9A:
8.76
5dzkW-2nz9A:
0.15
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.
5DZK_Z_BEZZ801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 4 ILE A 348
GLY A 104
ILE A 499
LEU A 107
None
0.76A 5dzkl-2nz9A:
undetectable
5dzkz-2nz9A:
undetectable
5dzkl-2nz9A:
8.76
5dzkz-2nz9A:
0.15
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.
5ESG_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 4 LEU A1105
TYR A1155
PRO A1110
ILE A1161
None
1.35A 5esgA-2nz9A:
0.4
5esgA-2nz9A:
17.07
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.
5G48_A_1FLA1375_1
(DNA POLYMERASE III
SUBUNIT BETA)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 8 THR A 943
LEU A1074
ILE A1053
LEU A 879
None
0.73A 5g48A-2nz9A:
undetectable
5g48A-2nz9A:
15.38
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.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
3 / 3 ARG A 861
ASN A 722
ASP A 270
None
0.91A 5gwxA-2nz9A:
undetectable
5gwxA-2nz9A:
13.28
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.
5HNZ_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 12 VAL A 355
ASP A 352
GLU A 351
LEU A 208
PHE A 196
None
1.32A 5hnzB-2nz9A:
undetectable
5hnzB-2nz9A:
15.05
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.
5JH7_B_6K9B503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 7 LEU A 853
GLU A 868
ASN A 722
ILE A 725
None
1.13A 5jh7C-2nz9A:
undetectable
5jh7C-2nz9A:
16.11
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.
5Y2T_B_8LXB501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 12 LEU A 987
PHE A 941
ARG A1023
LEU A1035
ILE A1019
None
1.11A 5y2tB-2nz9A:
undetectable
5y2tB-2nz9A:
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.
5Y7P_H_CHDH401_0
(BILE SALT HYDROLASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
5 / 10 TYR A  77
ILE A 160
PHE A 192
ASN A 377
LEU A  94
None
1.26A 5y7pH-2nz9A:
undetectable
5y7pH-2nz9A:
14.35
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.
5YW0_A_ACTA409_0
(UNCHARACTERIZED
PROTEIN KDOO)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
3 / 3 ASP A 275
PHE A 282
ARG A 241
None
1.05A 5yw0A-2nz9A:
undetectable
5yw0A-2nz9A:
12.89
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.
5YW0_A_ACTA409_0
(UNCHARACTERIZED
PROTEIN KDOO)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
3 / 3 ASP A 461
PHE A 423
ARG A 555
None
0.87A 5yw0A-2nz9A:
undetectable
5yw0A-2nz9A:
12.89
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)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 4 LEU A  94
ASP A 216
PRO A 217
ARG A  97
None
1.40A 6fgdA-2nz9A:
undetectable
6fgdA-2nz9A:
15.14
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.
6H7U_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
4 / 6 VAL A 242
ASN A 533
PRO A 532
ILE A 534
None
1.13A 6h7uA-2nz9A:
2.7
6h7uA-2nz9A:
17.60
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.
6NKN_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum)
3 / 3 ARG A1276
LEU A1278
PHE A1249
None
0.73A 6nknP-2nz9A:
3.0
6nknP-2nz9A:
10.36