SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4zkt'

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.
1A28_B_STRB2_1
(PROGESTERONE
RECEPTOR)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 LEU B 465
ASN B 468
LEU B 470
THR B 461
MET B 381
 None
 1.17A 1a28B-4zktB:
undetectable		 1a28B-4zktB:
12.25
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.
1FAP_A_RAPA108_1
(FK506-BINDING
PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 ASP A 128
GLU A  28
ILE A  21
ILE A 165
ILE A 181
 None
 1.01A 1fapA-4zktA:
undetectable		 1fapA-4zktA:
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.
1FM6_D_BRLD503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 GLY A 179
SER A 130
LEU A 218
LEU A 114
TYR A 299
 None
 1.37A 1fm6D-4zktA:
undetectable		 1fm6D-4zktA:
12.45
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.
1H7X_A_URFA1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 6 ILE A 847
SER A 851
ASN A 854
THR A 865
 None
 1.13A 1h7xA-4zktA:
undetectable		 1h7xA-4zktA:
21.80
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.
1H7X_B_URFB1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 6 ILE A 847
SER A 851
ASN A 854
THR A 865
 None
 1.12A 1h7xB-4zktA:
undetectable		 1h7xB-4zktA:
21.80
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.
1H7X_C_URFC1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 6 ILE A 847
SER A 851
ASN A 854
THR A 865
 None
 1.12A 1h7xC-4zktA:
undetectable		 1h7xC-4zktA:
21.80
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.
1H7X_D_URFD1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 6 ILE A 847
SER A 851
ASN A 854
THR A 865
 None
 1.12A 1h7xD-4zktA:
undetectable		 1h7xD-4zktA:
21.80
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.
1HSG_B_MK1B902_1
(HIV-1 PROTEASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 10 LEU B1147
ASP B1146
VAL B1131
ILE B1098
VAL B1129
 None
 0.88A 1hsgA-4zktB:
undetectable		 1hsgA-4zktB:
5.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		6 / 12 THR A 209
HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 None
ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 1.04A 1j36A-4zktA:
3.0		 1j36A-4zktA:
18.19
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.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		6 / 12 THR A 209
HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 None
ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 1.04A 1j36B-4zktA:
3.4		 1j36B-4zktA:
18.19
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.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 11 HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 1.07A 1j37A-4zktA:
2.0		 1j37A-4zktA:
18.19
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.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 11 HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 1.07A 1j37B-4zktA:
3.4		 1j37B-4zktA:
18.19
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.
1LQP_A_FCNA4002_1
(PROBABLE FOSFOMYCIN
RESISTANCE PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 10 HIS A 216
GLU A 213
ARG A 348
HIS A 212
THR A 254
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
None
ZN  A1301 (-3.7A)
None
 1.44A 1lqpA-4zktA:
0.0
1lqpB-4zktA:
0.0		 1lqpA-4zktA:
7.23
1lqpB-4zktA:
7.23
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.
1LQP_B_FCNB4001_1
(PROBABLE FOSFOMYCIN
RESISTANCE PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 10 HIS A 212
THR A 254
HIS A 216
GLU A 213
ARG A 348
 ZN  A1301 (-3.7A)
None
ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
None
 1.44A 1lqpA-4zktA:
0.0
1lqpB-4zktA:
0.0		 1lqpA-4zktA:
7.23
1lqpB-4zktA:
7.23
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.
1NKI_A_PPFA5001_1
(PROBABLE FOSFOMYCIN
RESISTANCE PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 9 HIS A 216
GLU A 213
ARG A 348
HIS A 212
THR A 254
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
None
ZN  A1301 (-3.7A)
None
 1.42A 1nkiA-4zktA:
undetectable
1nkiB-4zktA:
undetectable		 1nkiA-4zktA:
7.23
1nkiB-4zktA:
7.23
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.
1NKI_B_PPFB5002_1
(PROBABLE FOSFOMYCIN
RESISTANCE PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 9 HIS A 212
THR A 254
HIS A 216
GLU A 213
ARG A 348
 ZN  A1301 (-3.7A)
None
ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
None
 1.43A 1nkiA-4zktA:
undetectable
1nkiB-4zktA:
undetectable		 1nkiA-4zktA:
7.23
1nkiB-4zktA:
7.23
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.
1NOD_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		3 / 3 ARG B  24
ILE B 168
TRP B 169
 None
 1.13A 1nodB-4zktB:
undetectable		 1nodB-4zktB:
16.01
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.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 1.02A 1o86A-4zktA:
2.4		 1o86A-4zktA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OHR_A_1UNA201_2
(ASPARTYLPROTEASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 9 LEU B1147
ASP B1146
VAL B1131
ILE B1098
VAL B1129
 None
 0.92A 1ohrB-4zktB:
undetectable		 1ohrB-4zktB:
5.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OLT_A_SAMA501_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 ASP A 338
GLY A 257
ASP A 259
ILE A 263
PHE A 252
 None
 1.16A 1oltA-4zktA:
undetectable		 1oltA-4zktA:
15.59
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.
1P33_C_MTXC353_1
(PTERIDINE REDUCTASE
1)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 SER B 888
LEU B 687
LEU B 863
LEU B 960
TYR B 524
 None
 1.49A 1p33C-4zktB:
undetectable		 1p33C-4zktB:
12.44
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.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 ASP A 259
ILE A 247
GLY A 353
PHE A 194
ILE A 352
 None
 1.26A 1q8jA-4zktA:
undetectable		 1q8jA-4zktA:
18.31
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.
1QOM_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		3 / 3 ARG B  24
ILE B 168
TRP B 169
 None
 1.19A 1qomA-4zktB:
undetectable		 1qomA-4zktB:
16.59
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.
1R5L_A_VIVA301_0
(PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN))		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 VAL A 898
ILE A 907
ILE A1044
ILE A 940
VAL A1025
 None
 1.20A 1r5lA-4zktA:
undetectable		 1r5lA-4zktA:
11.81
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.
1RJD_C_SAMC803_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 4zkt BONTOXILYSIN A
BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum;
Clostridium
botulinum) 		4 / 6 ARG A 760
ASP A 594
ASN B 866
GLU A 764
 None
 1.33A 1rjdC-4zktA:
undetectable		 1rjdC-4zktA:
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.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 PRO A 173
ILE A  48
ALA A 129
SER A 162
GLU A 154
 None
 1.11A 1sg9C-4zktA:
undetectable		 1sg9C-4zktA:
13.63
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 LEU B 561
ASP B 647
HIS B 324
SER B 383
VAL B 467
 None
 1.22A 1uobA-4zktB:
undetectable		 1uobA-4zktB:
13.24
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 8 GLU A 251
HIS A 212
HIS A 216
GLU A 213
 ZN  A1301 (-2.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
 0.94A 1v7zA-4zktA:
undetectable		 1v7zA-4zktA:
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 8 GLU A 251
HIS A 212
HIS A 216
GLU A 213
 ZN  A1301 (-2.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
 0.94A 1v7zB-4zktA:
undetectable		 1v7zB-4zktA:
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 8 GLU A 251
HIS A 212
HIS A 216
GLU A 213
 ZN  A1301 (-2.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
 0.95A 1v7zD-4zktA:
undetectable		 1v7zD-4zktA:
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 8 GLU A 251
HIS A 212
HIS A 216
GLU A 213
 ZN  A1301 (-2.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
 0.94A 1v7zE-4zktA:
undetectable		 1v7zE-4zktA:
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 8 GLU A 251
HIS A 212
HIS A 216
GLU A 213
 ZN  A1301 (-2.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
 0.95A 1v7zF-4zktA:
undetectable		 1v7zF-4zktA:
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.
2AVD_A_SAMA501_0
(CATECHOL-O-METHYLTRA
NSFERASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 MET A 172
GLY A 223
PHE A 178
SER A 180
ALA A 224
 None
 1.45A 2avdA-4zktA:
undetectable		 2avdA-4zktA:
10.78
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.
2BR4_E_SAME301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		3 / 3 SER B 225
ASP B 647
CYH B 650
 None
 0.96A 2br4E-4zktB:
undetectable		 2br4E-4zktB:
11.80
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.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 0.99A 2c6nA-4zktA:
2.3		 2c6nA-4zktA:
18.18
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.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 1.06A 2c6nB-4zktA:
undetectable		 2c6nB-4zktA:
18.18
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.
2HJH_A_NCAA900_0
(NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 5 ILE B 106
PRO B 107
PHE B 108
ILE B 273
 None
 0.92A 2hjhA-4zktB:
undetectable		 2hjhA-4zktB:
15.54
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.
2JFA_B_CCSB417_0
(ESTROGEN RECEPTOR)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 GLN A1250
LYS A 929
VAL A 931
 None
 0.84A 2jfaB-4zktA:
undetectable		 2jfaB-4zktA:
11.65
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.
2JFA_B_RALB600_1
(ESTROGEN RECEPTOR)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 ALA A 340
GLU A 336
LEU A 339
LEU A 208
GLY A 374
 None
 0.88A 2jfaB-4zktA:
undetectable		 2jfaB-4zktA:
11.65
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.
2OAX_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 LEU B 465
ASN B 468
LEU B 470
LEU B 368
THR B 461
 None
 1.18A 2oaxA-4zktB:
undetectable		 2oaxA-4zktB:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_B_SNLB2001_1
(MINERALOCORTICOID
RECEPTOR)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 LEU B 465
ASN B 468
LEU B 470
LEU B 368
THR B 461
 None
 1.28A 2oaxB-4zktB:
undetectable		 2oaxB-4zktB:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QAK_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 LEU B1147
ASP B1146
VAL B1131
ILE B1098
VAL B1129
 None
 0.91A 2qakB-4zktB:
undetectable		 2qakB-4zktB:
6.25
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.
2QEB_A_HSMA145_1
(D7R4 PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 7 ILE A 271
TYR A 272
PHE A 324
ASP A 325
 None
 1.01A 2qebA-4zktA:
undetectable		 2qebA-4zktA:
7.67
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.
2QEB_B_HSMB145_1
(D7R4 PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 7 ILE A 271
TYR A 272
PHE A 324
ASP A 325
 None
 1.03A 2qebB-4zktA:
undetectable		 2qebB-4zktA:
7.67
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.
2RLF_C_RIMC399_1
(MATRIX PROTEIN 2)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 6 LEU B 101
LEU B  98
ASP B 419
ILE B 293
 None
 0.85A 2rlfC-4zktB:
undetectable
2rlfD-4zktB:
undetectable		 2rlfC-4zktB:
3.97
2rlfD-4zktB:
3.97
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.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 11 HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 0.96A 2x8zA-4zktA:
3.2		 2x8zA-4zktA:
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.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 0.99A 2x91A-4zktA:
undetectable		 2x91A-4zktA:
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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 4 SER A 166
GLY A 177
GLY A 226
LYS A 225
 None
 1.10A 2y4nB-4zktA:
undetectable		 2y4nB-4zktA:
15.10
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.
2Y7H_C_SAMC530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 TYR A 222
GLU A 106
ASN A 474
 None
 1.00A 2y7hC-4zktA:
1.5		 2y7hC-4zktA:
17.22
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.
2Y7H_C_SAMC530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 TYR A 332
GLU A 250
ASN A 164
 None
 0.88A 2y7hC-4zktA:
1.5		 2y7hC-4zktA:
17.22
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.
2YFB_A_ACTA501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 7 ASP A1139
ARG A1143
ILE A1071
TYR A1082
 None
 0.96A 2yfbA-4zktA:
1.9		 2yfbA-4zktA:
10.62
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.
2YFB_B_ACTB501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 6 ASP A1139
ARG A1143
ILE A1071
TYR A1082
 None
 0.97A 2yfbB-4zktA:
2.4		 2yfbB-4zktA:
10.62
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.
2ZBU_D_ADND504_1
(UNCHARACTERIZED
CONSERVED PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 PHE A 520
ASN A 518
PHE A 411
 None
 0.94A 2zbuD-4zktA:
undetectable		 2zbuD-4zktA:
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.
2ZE2_A_T27A556_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 10 ILE B 234
ASN B 320
TYR B 240
PRO B 315
LEU B 303
 None
 1.34A 2ze2A-4zktB:
undetectable		 2ze2A-4zktB:
19.22
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 7 GLU A 251
HIS A 212
HIS A 216
GLU A 213
 ZN  A1301 (-2.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
 0.95A 3a6jB-4zktA:
undetectable		 3a6jB-4zktA:
11.03
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.
3CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 9 ALA A 266
ASN A 447
LEU A 782
VAL A 777
ILE A 645
 None
 1.31A 3claA-4zktA:
undetectable		 3claA-4zktA:
10.46
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.
3E68_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		3 / 3 ARG B  24
ILE B 168
TRP B 169
 None
 1.16A 3e68A-4zktB:
undetectable		 3e68A-4zktB:
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.
3E6T_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		3 / 3 ARG B  24
ILE B 168
TRP B 169
 None
 1.13A 3e6tB-4zktB:
undetectable		 3e6tB-4zktB:
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.
3E7I_B_H4BB2902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		3 / 3 ARG B  24
ILE B 168
TRP B 169
 None
 1.09A 3e7iB-4zktB:
undetectable		 3e7iB-4zktB:
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.
3EM3_B_478B200_2
(PROTEASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 10 LEU B1147
ASP B1146
VAL B1131
ILE B1098
VAL B1129
 None
 0.87A 3em3B-4zktB:
undetectable		 3em3B-4zktB:
6.62
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.
3GAL_A_1GNA998_1
(GALECTIN-7)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 6 HIS A 956
ASN A 957
ASN A 955
GLU A 958
 None
 1.48A 3galA-4zktA:
6.3		 3galA-4zktA:
7.54
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.
3GAL_B_1GNB999_1
(GALECTIN-7)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 6 HIS A 956
ASN A 957
ASN A 955
GLU A 958
 None
 1.48A 3galB-4zktA:
6.1		 3galB-4zktA:
7.54
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.
3HAV_C_SRYC403_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 ASN B1114
SER B 927
ASP B1011
ASP B 947
TYR B1026
 None
 1.39A 3havC-4zktB:
1.4		 3havC-4zktB:
14.32
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.
3HGX_A_SALA102_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 7 ARG A1040
VAL A 931
ILE A 923
ILE A 987
 None
 1.04A 3hgxA-4zktA:
1.6		 3hgxA-4zktA:
5.81
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.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 GLY A1213
GLY A1237
ASN A1236
ILE A1175
PHE A1201
 None
 1.06A 3ihtA-4zktA:
undetectable		 3ihtA-4zktA:
8.82
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.
3IJD_B_C2FB314_1
(UNCHARACTERIZED
PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 THR A 254
LYS A 699
GLU A 336
 None
 0.91A 3ijdB-4zktA:
undetectable		 3ijdB-4zktA:
14.06
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.
3ILT_H_TRUH800_1
(GLUTAMATE RECEPTOR 2)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 ILE A 134
SER A 140
SER A 137
 None
 0.60A 3iltH-4zktA:
undetectable		 3iltH-4zktA:
11.76
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.
3K13_A_THHA642_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4zkt BONTOXILYSIN A
BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum;
Clostridium
botulinum) 		3 / 3 ASN B 623
ASP B 773
ARG A1040
 None
 0.88A 3k13A-4zktB:
undetectable		 3k13A-4zktB:
13.08
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.
3KO0_B_TFPB202_2
(PROTEIN S100-A4)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 6 LEU B1002
SER B1000
PHE B 999
ILE B1116
 None
 0.95A 3ko0B-4zktB:
1.2		 3ko0B-4zktB:
6.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 5 ILE A 247
ARG A 348
GLU A 213
GLU A 336
 None
None
ZN  A1301 (-3.3A)
None
 1.44A 3ny4A-4zktA:
undetectable		 3ny4A-4zktA:
11.76
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.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 GLY B 903
ASN B 925
VAL B 905
ALA B 952
GLU B 954
 None
 1.08A 3p2kB-4zktB:
undetectable		 3p2kB-4zktB:
11.25
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.
3RAE_H_LFXH101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 5 SER B 235
GLY B 389
GLU B 218
GLU B 367
 None
 1.19A 3raeB-4zktB:
2.2
3raeD-4zktB:
undetectable		 3raeB-4zktB:
17.36
3raeD-4zktB:
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.
3S8P_A_SAMA500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		3 / 3 HIS B 929
SER B1119
GLU B1012
 None
 0.74A 3s8pA-4zktB:
undetectable		 3s8pA-4zktB:
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.
3TEH_B_DAHB786_1
(PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 7 LEU B 873
GLY B 837
GLU B1013
ALA B 842
 None
 0.90A 3tehB-4zktB:
undetectable		 3tehB-4zktB:
19.20
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.
3V4T_D_ACTD502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 GLY A1210
THR A1223
ASN A1208
 None
 0.53A 3v4tD-4zktA:
undetectable		 3v4tD-4zktA:
15.99
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.
3ZOS_A_0LIA1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 9 ILE A  90
ILE A  35
ILE A  41
TYR A  30
ILE A  39
 None
 1.01A 3zosA-4zktA:
undetectable		 3zosA-4zktA:
13.54
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.
4A83_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 ASP A 759
ASN A 698
ASN A 694
SER A 766
LEU A 633
 None
 1.49A 4a83A-4zktA:
undetectable		 4a83A-4zktA:
8.83
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.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 11 HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 1.05A 4c2pA-4zktA:
2.3		 4c2pA-4zktA:
18.25
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.
4DV1_A_SRYA1601_1
(16S RRNA
RIBOSOMAL PROTEIN
S12)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 LYS A 359
LYS A 397
PRO A 398
 None
 1.06A 4dv1L-4zktA:
undetectable		 4dv1L-4zktA:
7.03
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.
4EJG_A_NCTA501_1
(CYTOCHROME P450 2A13)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 7 PHE A1050
ASN A 854
PHE A1047
LEU A1062
 None
 1.09A 4ejgA-4zktA:
0.8		 4ejgA-4zktA:
16.84
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.
4G1B_C_ECNC403_1
(FLAVOHEMOGLOBIN)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 9 ILE B1042
LEU B1100
VAL B1081
VAL B1143
LEU B1044
 None
 1.25A 4g1bC-4zktB:
2.4		 4g1bC-4zktB:
15.56
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.
4GC9_A_SAMA401_1
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 GLU A 154
ASP A 156
ASP A  54
 None
 0.59A 4gc9A-4zktA:
undetectable		 4gc9A-4zktA:
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.
4II8_A_010A210_0
(LYSOZYME C)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 7 GLU A 305
GLN A 304
ASN A 320
ILE A 327
 None
 0.88A 4ii8A-4zktA:
undetectable		 4ii8A-4zktA:
6.87
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.
4JTP_A_ASCA802_0
(RRNA N-GLYCOSIDASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 5 TYR A 369
ILE A 368
ASN A 376
ILE A 395
 None
 1.05A 4jtpA-4zktA:
undetectable		 4jtpA-4zktA:
11.91
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.
4KUK_A_RBFA201_2
(BLUE-LIGHT
PHOTORECEPTOR)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 9 LEU A 360
ILE A  90
ILE A  86
PHE A 343
GLY A 374
 None
 1.11A 4kukA-4zktA:
undetectable		 4kukA-4zktA:
7.43
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.
4L1A_A_AB1A101_2
(MDR769 HIV-1
PROTEASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 6 ASN A1078
GLY A 889
PRO A 882
THR A 883
 None
 1.11A 4l1aB-4zktA:
undetectable		 4l1aB-4zktA:
5.37
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.
4LMN_A_EUIA503_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 LEU B  79
ILE B  41
ASN B  17
GLY B   5
LEU B  86
 None
 0.94A 4lmnA-4zktB:
undetectable		 4lmnA-4zktB:
13.69
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.
4LRH_A_FOLA301_1
(FOLATE RECEPTOR
ALPHA)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		3 / 3 ASP B 179
TRP B 638
SER B 653
 None
 0.79A 4lrhA-4zktB:
undetectable		 4lrhA-4zktB:
10.18
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.
4M2X_C_TMQC202_1
(DIHYDROFOLATE
REDUCTASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 ILE B  41
ALA B  36
LEU B 193
LEU B 189
ILE B 138
 None
 0.95A 4m2xC-4zktB:
undetectable		 4m2xC-4zktB:
8.71
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 6 GLU A1245
ASP A1074
ASN A 988
ARG A 922
 None
 1.25A 4ntxA-4zktA:
2.4
4ntxC-4zktA:
0.9		 4ntxA-4zktA:
15.91
4ntxC-4zktA:
7.02
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_A_GCSA306_1
(CHITOSANASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 SER A 849
ASP A1051
GLN A 749
 None
 0.96A 4oltA-4zktA:
0.8
4oltB-4zktA:
undetectable		 4oltA-4zktA:
11.41
4oltB-4zktA:
11.41
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.
4Q1Y_A_017A106_2
(ASPARTYL PROTEASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 LEU B 873
ILE B 843
ILE B 852
VAL B 977
ILE B 979
 None
 0.98A 4q1yB-4zktB:
undetectable		 4q1yB-4zktB:
5.87
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.
4QWP_B_GCSB304_1
(CHITOSANASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 GLN A 749
SER A 849
ASP A1051
 None
 0.96A 4qwpA-4zktA:
0.8
4qwpB-4zktA:
0.7		 4qwpA-4zktA:
11.41
4qwpB-4zktA:
11.41
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.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 0.53A 4r7lA-4zktA:
3.6		 4r7lA-4zktA:
20.21
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.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 7 GLU A 637
GLY A 629
TYR A 769
GLY A 631
 None
 0.90A 4rdxA-4zktA:
undetectable		 4rdxA-4zktA:
14.84
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.
4XE5_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 GLU B 802
ASP B 818
LEU B 805
GLU B 860
ILE B 816
 None
 1.10A 4xe5A-4zktB:
undetectable		 4xe5A-4zktB:
21.70
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.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 4zkt BONTOXILYSIN A
BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum;
Clostridium
botulinum) 		3 / 3 SER B 927
GLU B1030
GLU A 465
 None
 0.72A 4ymgB-4zktB:
undetectable		 4ymgB-4zktB:
11.17
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.
4Z91_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 7 THR B 695
LEU B 696
THR B 691
LEU B 671
 None
 0.88A 4z91F-4zktB:
3.6
4z91G-4zktB:
3.5
4z91H-4zktB:
4.4
4z91I-4zktB:
3.5
4z91J-4zktB:
4.4		 4z91F-4zktB:
15.48
4z91G-4zktB:
15.48
4z91H-4zktB:
15.48
4z91I-4zktB:
15.48
4z91J-4zktB:
15.48
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 8 TYR A 279
GLY A 177
ILE A 181
GLY A 220
 None
 0.68A 5alcL-4zktA:
undetectable		 5alcL-4zktA:
10.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 6 ASP B 711
TYR B 318
TYR B 178
LEU B 322
 None
 1.11A 5bmvB-4zktB:
undetectable		 5bmvB-4zktB:
15.55
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.
5DSG_B_0HKB1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 ASP A 877
ASN A 875
PHE A1031
 None
 0.73A 5dsgB-4zktA:
undetectable		 5dsgB-4zktA:
15.56
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.
5IEN_A_VDYA201_2
(CDL2.2)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 ILE A 923
LEU A 954
ILE A1007
LEU A1005
TYR A 986
 None
 1.15A 5ienA-4zktA:
undetectable		 5ienA-4zktA:
7.65
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.
5IY5_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 5 LEU B 615
PHE B 616
LEU B 763
PHE B 608
 None
 1.13A 5iy5P-4zktB:
3.4
5iy5W-4zktB:
undetectable		 5iy5P-4zktB:
10.48
5iy5W-4zktB:
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 6 GLY B 981
GLU B 980
TYR B 930
ILE B 931
 None
 0.95A 5kmfA-4zktB:
3.5
5kmfC-4zktB:
4.3		 5kmfA-4zktB:
13.17
5kmfC-4zktB:
13.17
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.
5LRB_A_ACRA1003_1
(ALPHA-1,4 GLUCAN
PHOSPHORYLASE)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 6 GLU A 154
THR A  51
TYR A 501
TYR A  69
 None
 1.40A 5lrbA-4zktA:
undetectable		 5lrbA-4zktA:
20.97
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.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 SER B 799
GLN B 348
SER B 820
GLY B 821
GLN B 311
 None
 1.40A 5oj0A-4zktB:
undetectable		 5oj0A-4zktB:
20.43
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.
5V3D_A_FCNA205_1
(FOSFOMYCIN
RESISTANCE PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 10 HIS A 212
THR A 254
HIS A 216
GLU A 213
ARG A 348
 ZN  A1301 (-3.7A)
None
ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
None
 1.44A 5v3dA-4zktA:
undetectable
5v3dB-4zktA:
undetectable		 5v3dA-4zktA:
7.38
5v3dB-4zktA:
7.38
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.
5W97_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 6 LEU B 615
PHE B 616
LEU B 763
PHE B 608
 None
 1.04A 5w97C-4zktB:
3.9
5w97J-4zktB:
undetectable		 5w97C-4zktB:
10.56
5w97J-4zktB:
3.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 5 LEU B 615
PHE B 616
LEU B 763
PHE B 608
 None
 1.03A 5x1fC-4zktB:
2.6
5x1fJ-4zktB:
undetectable		 5x1fC-4zktB:
10.56
5x1fJ-4zktB:
3.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 5 LEU B 615
PHE B 616
LEU B 763
PHE B 608
 None
 1.10A 5xdxC-4zktB:
3.4
5xdxJ-4zktB:
undetectable		 5xdxC-4zktB:
10.48
5xdxJ-4zktB:
3.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWT_D_BEZD202_0
(PR 10 PROTEIN)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 PHE A 761
ASP A 759
LYS A 701
 None
 0.85A 6awtD-4zktA:
undetectable		 6awtD-4zktA:
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.
6B3A_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 PHE A 915
GLY A 949
ASN A 947
ILE A 969
LEU A1020
 None
 1.06A 6b3aA-4zktA:
undetectable		 6b3aA-4zktA:
19.49
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.
6B3B_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		5 / 12 PHE A 915
GLY A 949
ASN A 947
ILE A 969
LEU A1020
 None
 1.11A 6b3bA-4zktA:
undetectable		 6b3bA-4zktA:
19.49
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 7 ASN A 195
ASN A 200
GLU A 201
ARG A 193
 None
 1.28A 6b8kA-4zktA:
4.5		 6b8kA-4zktA:
5.00
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.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		3 / 3 ILE B 599
ASN B 622
CYH B 737
 None
 0.87A 6bp4A-4zktB:
undetectable		 6bp4A-4zktB:
13.63
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.
6DIL_B_TPVB201_0
(HIV-1 PROTEASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 LEU B1147
ASP B1146
VAL B1131
ILE B1098
VAL B1129
 None
 0.90A 6dilA-4zktB:
undetectable		 6dilA-4zktB:
5.34
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.
6DWD_C_GLYC713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		3 / 3 GLN A1130
TYR A1149
ASN A1151
 None
 1.02A 6dwdC-4zktA:
undetectable		 6dwdC-4zktA:
17.79
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.
6DWJ_B_GLYB710_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 4zkt BONTOXILYSIN A
(Clostridium
botulinum) 		4 / 5 ARG A 244
GLY A 432
ASN A 431
ASP A  65
 None
 1.31A 6dwjB-4zktA:
undetectable
6dwjD-4zktA:
0.4		 6dwjB-4zktA:
17.79
6dwjD-4zktA:
17.79
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)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 4 LEU B  85
ASP B 184
PRO B 185
ARG B  88
 None
 1.43A 6fgdA-4zktB:
undetectable		 6fgdA-4zktB:
15.83
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.
6H7U_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 6 ASN B 892
ASN B 907
ILE B 909
GLU B 915
 None
 1.06A 6h7uA-4zktB:
undetectable		 6h7uA-4zktB:
18.19
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.
6HZP_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 8 ASN B 892
ASN B 907
ILE B 909
GLU B 915
 None
 0.84A 6hzpA-4zktB:
2.4		 6hzpA-4zktB:
18.19
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.
6MKE_A_FK5A201_0
(PEPTIDYLPROLYL
ISOMERASE)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		5 / 12 PHE B 859
VAL B 984
ILE B 869
ILE B 897
ILE B 816
 None
 1.25A 6mkeA-4zktB:
undetectable
6mkeD-4zktB:
undetectable		 6mkeA-4zktB:
4.36
6mkeD-4zktB:
4.36
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.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 6 ASP B  27
TYR B 153
GLU B 167
GLU B  49
 None
 1.35A 6mn5A-4zktB:
undetectable		 6mn5A-4zktB:
4.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH
(Clostridium
botulinum) 		4 / 6 ASP B  27
TYR B 153
GLU B 167
GLU B  49
 None
 1.35A 6mn5C-4zktB:
undetectable		 6mn5C-4zktB:
4.95