SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3zuq'

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)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 4 HIS A 237
LEU A 526
LEU A 104
LEU A 226
 None
 1.03A 1a4lD-3zuqA:
undetectable		 1a4lD-3zuqA:
20.05
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.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 HIS A 230
GLU A 231
HIS A 234
GLU A 268
TYR A 373
 ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
ZN  A1440 (-3.3A)
ZN  A1440 (-2.1A)
None
 0.85A 1j36A-3zuqA:
5.2		 1j36A-3zuqA:
20.13
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.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 HIS A 230
GLU A 231
HIS A 234
GLU A 268
TYR A 373
 ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
ZN  A1440 (-3.3A)
ZN  A1440 (-2.1A)
None
 0.85A 1j36B-3zuqA:
5.2		 1j36B-3zuqA:
20.13
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.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 HIS A 230
GLU A 231
HIS A 234
GLU A 268
TYR A 373
 ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
ZN  A1440 (-3.3A)
ZN  A1440 (-2.1A)
None
 0.81A 1j37A-3zuqA:
5.1		 1j37A-3zuqA:
20.13
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.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 HIS A 230
GLU A 231
HIS A 234
GLU A 268
TYR A 373
 ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
ZN  A1440 (-3.3A)
ZN  A1440 (-2.1A)
None
 0.82A 1j37B-3zuqA:
5.1		 1j37B-3zuqA:
20.13
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.
1P91_B_SAMB2401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 LEU A 119
GLY A 241
GLY A 186
LEU A 546
PRO A  25
 None
 1.10A 1p91B-3zuqA:
undetectable		 1p91B-3zuqA:
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.
1TDN_A_LEUA487_0
(L-AMINO ACID OXIDASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 ASN A 641
PHE A 636
TYR A 658
ILE A 803
 None
 1.49A 1tdnA-3zuqA:
undetectable		 1tdnA-3zuqA:
18.94
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.
1UDT_A_VIAA1000_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 TYR A 658
ALA A 802
ILE A 803
VAL A 656
LEU A 686
 None
 1.17A 1udtA-3zuqA:
undetectable		 1udtA-3zuqA:
16.48
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 GLU A 268
HIS A 230
HIS A 234
GLU A 231
 ZN  A1440 (-2.1A)
ZN  A1440 (-3.3A)
ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
 0.91A 1v7zA-3zuqA:
undetectable		 1v7zA-3zuqA:
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 GLU A 268
HIS A 230
HIS A 234
GLU A 231
 ZN  A1440 (-2.1A)
ZN  A1440 (-3.3A)
ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
 0.92A 1v7zB-3zuqA:
undetectable		 1v7zB-3zuqA:
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 GLU A 268
HIS A 230
HIS A 234
GLU A 231
 ZN  A1440 (-2.1A)
ZN  A1440 (-3.3A)
ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
 0.92A 1v7zC-3zuqA:
undetectable		 1v7zC-3zuqA:
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.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 HIS A 230
GLU A 231
HIS A 234
GLU A 268
TYR A 373
 ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
ZN  A1440 (-3.3A)
ZN  A1440 (-2.1A)
None
 0.90A 2c6nB-3zuqA:
undetectable		 2c6nB-3zuqA:
18.64
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.
2F8D_A_BEZA1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 10 GLY A 105
LEU A 108
ILE A 112
PHE A  96
LEU A 228
 None
 1.08A 2f8dA-3zuqA:
undetectable		 2f8dA-3zuqA:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8D_B_BEZB1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 10 GLY A 105
LEU A 108
ILE A 112
PHE A  96
LEU A 228
 None
 1.08A 2f8dB-3zuqA:
undetectable		 2f8dB-3zuqA:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 VAL A 665
ILE A 750
LEU A 663
ILE A 806
ALA A 802
 None
 1.02A 2gj5A-3zuqA:
undetectable		 2gj5A-3zuqA:
10.38
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.
2H42_A_VIAA901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 TYR A 658
ALA A 802
ILE A 803
VAL A 656
LEU A 686
 None
 1.26A 2h42A-3zuqA:
undetectable		 2h42A-3zuqA:
16.43
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.
2H79_A_T3A1_1
(THRA PROTEIN)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 ILE A  45
ILE A  46
ALA A  36
ALA A 156
ILE A 190
 None
 0.90A 2h79A-3zuqA:
undetectable		 2h79A-3zuqA:
15.17
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.
2RCT_A_RTLA140_0
(RETINOL-BINDING
PROTEIN II, CELLULAR)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 PHE A 608
ILE A 799
ALA A 640
LEU A 795
LEU A 590
 None
 1.38A 2rctA-3zuqA:
undetectable		 2rctA-3zuqA:
10.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RLC_A_CHDA332_0
(CHOLOYLGLYCINE
HYDROLASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 ILE A 750
PHE A 747
ALA A 683
ILE A 883
ASN A 808
 None
 1.18A 2rlcA-3zuqA:
undetectable		 2rlcA-3zuqA:
18.37
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.
2X2I_B_QPSB1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 10 VAL A 553
PHE A  52
ASN A 139
GLY A  29
ALA A  27
 None
 1.45A 2x2iB-3zuqA:
undetectable		 2x2iB-3zuqA:
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.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 ILE A 112
ASN A 364
LEU A 236
ILE A 233
THR A 172
 None
 1.19A 3a50B-3zuqA:
0.8		 3a50B-3zuqA:
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.
3A50_C_VD3C2001_1
(VITAMIN D
HYDROXYLASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 ILE A 112
ASN A 364
LEU A 236
ILE A 233
THR A 172
 None
 1.18A 3a50C-3zuqA:
undetectable		 3a50C-3zuqA:
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.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 ILE A 112
ASN A 364
LEU A 236
ILE A 233
THR A 172
 None
 1.23A 3a51D-3zuqA:
undetectable		 3a51D-3zuqA:
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 GLU A 268
HIS A 230
HIS A 234
GLU A 231
 ZN  A1440 (-2.1A)
ZN  A1440 (-3.3A)
ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
 0.91A 3a6jA-3zuqA:
undetectable		 3a6jA-3zuqA:
14.22
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)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 GLU A 268
HIS A 230
HIS A 234
GLU A 231
 ZN  A1440 (-2.1A)
ZN  A1440 (-3.3A)
ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
 0.88A 3a6jB-3zuqA:
undetectable		 3a6jB-3zuqA:
14.22
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_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 GLU A 268
HIS A 230
HIS A 234
GLU A 231
 ZN  A1440 (-2.1A)
ZN  A1440 (-3.3A)
ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
 0.89A 3a6jC-3zuqA:
undetectable		 3a6jC-3zuqA:
14.22
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_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 GLU A 268
HIS A 230
HIS A 234
GLU A 231
 ZN  A1440 (-2.1A)
ZN  A1440 (-3.3A)
ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
 0.92A 3a6jE-3zuqA:
undetectable		 3a6jE-3zuqA:
14.22
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_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 GLU A 268
HIS A 230
HIS A 234
GLU A 231
 ZN  A1440 (-2.1A)
ZN  A1440 (-3.3A)
ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
 0.89A 3a6jF-3zuqA:
undetectable		 3a6jF-3zuqA:
14.22
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.
3GWS_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 ILE A  45
ILE A  46
ALA A  36
ALA A 156
ILE A 190
 None
 0.87A 3gwsX-3zuqA:
undetectable		 3gwsX-3zuqA:
14.88
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.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 TYR A 240
GLU A 110
LEU A 239
ASN A 157
 None
 1.22A 3k8mA-3zuqA:
undetectable		 3k8mA-3zuqA:
22.04
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.
3K8M_B_ACRB820_1
(ALPHA-AMYLASE, SUSG)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 TYR A 240
GLU A 110
LEU A 239
ASN A 157
 None
 1.39A 3k8mB-3zuqA:
undetectable		 3k8mB-3zuqA:
22.04
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.
3KEC_B_HAEB271_1
(COLLAGENASE 3)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 HIS A 230
GLU A 231
HIS A 234
 ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
ZN  A1440 (-3.3A)
 0.14A 3kecB-3zuqA:
undetectable		 3kecB-3zuqA:
11.45
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.
3KP6_B_SALB3006_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 ASN A 399
MET A 405
ILE A 400
ASN A 417
 None
 1.46A 3kp6A-3zuqA:
2.1
3kp6B-3zuqA:
1.5		 3kp6A-3zuqA:
11.26
3kp6B-3zuqA:
11.26
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.
3QOW_A_SAMA417_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 GLY A 115
GLY A 189
VAL A 235
ASP A 121
ASN A 157
 None
 1.26A 3qowA-3zuqA:
undetectable		 3qowA-3zuqA:
17.91
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.
3TMZ_A_06XA503_1
(CYTOCHROME P450 2B4)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 ILE A  43
ILE A  99
PHE A 195
ILE A 160
VAL A 235
 None
 1.01A 3tmzA-3zuqA:
1.0		 3tmzA-3zuqA:
19.41
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.
3TMZ_A_06XA503_1
(CYTOCHROME P450 2B4)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 ILE A  99
PHE A 195
ILE A 160
ALA A 225
VAL A 235
 None
 1.03A 3tmzA-3zuqA:
1.0		 3tmzA-3zuqA:
19.41
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.
3TPX_E_ACTE204_0
(E3 UBIQUITIN-PROTEIN
LIGASE MDM2)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 LYS A 102
PRO A 103
LEU A 104
 None
 0.64A 3tpxE-3zuqA:
undetectable		 3tpxE-3zuqA:
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.
3VW1_D_CVID301_0
(PUTATIVE REGULATORY
PROTEIN)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 LEU A 795
THR A 615
ILE A 632
ILE A 799
ALA A 802
 None
 1.04A 3vw1D-3zuqA:
0.4		 3vw1D-3zuqA:
12.98
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.
4AFG_B_QMRB1214_1
(CAPITELLA TELETA
ACHBP)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 9 ILE A 190
ILE A 116
PHE A 324
PHE A 129
TYR A 118
 None
 1.40A 4afgA-3zuqA:
undetectable
4afgE-3zuqA:
undetectable		 4afgA-3zuqA:
14.76
4afgE-3zuqA:
14.76
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.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 HIS A 230
GLU A 231
HIS A 234
GLU A 268
TYR A 373
 ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
ZN  A1440 (-3.3A)
ZN  A1440 (-2.1A)
None
 0.85A 4c2pA-3zuqA:
4.8		 4c2pA-3zuqA:
20.00
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.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 ARG A 123
HIS A 180
GLU A 185
ASP A 121
 None
 1.20A 4cevA-3zuqA:
undetectable
4cevB-3zuqA:
undetectable		 4cevA-3zuqA:
16.30
4cevB-3zuqA:
16.30
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.
4CEV_B_GAIB408_0
(PROTEIN (ARGINASE))		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 5 ARG A 123
HIS A 180
GLU A 185
ASP A 121
 None
 1.20A 4cevB-3zuqA:
0.0
4cevC-3zuqA:
0.0		 4cevB-3zuqA:
16.30
4cevC-3zuqA:
16.30
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.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 ASP A 121
ARG A 123
HIS A 180
GLU A 185
 None
 1.21A 4cevA-3zuqA:
undetectable
4cevC-3zuqA:
undetectable		 4cevA-3zuqA:
16.30
4cevC-3zuqA:
16.30
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.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 ARG A 123
HIS A 180
GLU A 185
ASP A 121
 None
 1.23A 4cevD-3zuqA:
undetectable
4cevE-3zuqA:
undetectable		 4cevD-3zuqA:
16.30
4cevE-3zuqA:
16.30
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.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 ARG A 123
HIS A 180
GLU A 185
ASP A 121
 None
 1.20A 4cevE-3zuqA:
undetectable
4cevF-3zuqA:
undetectable		 4cevE-3zuqA:
16.30
4cevF-3zuqA:
16.30
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.
4CEV_F_GAIF412_0
(PROTEIN (ARGINASE))		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 5 ASP A 121
ARG A 123
HIS A 180
GLU A 185
 None
 1.20A 4cevD-3zuqA:
0.7
4cevF-3zuqA:
0.0		 4cevD-3zuqA:
16.30
4cevF-3zuqA:
16.30
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.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 ASP A 730
ASP A 290
ASP A 346
GLU A 726
 None
 1.02A 4gkhC-3zuqA:
undetectable
4gkhK-3zuqA:
undetectable		 4gkhC-3zuqA:
14.70
4gkhK-3zuqA:
14.70
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.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 ASP A 730
ASP A 290
ASP A 346
GLU A 726
 None
 0.96A 4gkiE-3zuqA:
1.7
4gkiG-3zuqA:
undetectable		 4gkiE-3zuqA:
14.70
4gkiG-3zuqA:
14.70
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.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 PRO A 539
GLY A 115
ASN A 114
TYR A 328
LEU A 119
 None
 1.43A 4kovA-3zuqA:
undetectable		 4kovA-3zuqA:
10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOW_A_CFXA204_1
(UNCHARACTERIZED
PROTEIN)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 PRO A 539
GLY A 115
ASN A 114
TYR A 328
LEU A 119
 None
 1.44A 4kowA-3zuqA:
undetectable		 4kowA-3zuqA:
10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 11 PRO A 539
GLY A 115
ASN A 114
TYR A 328
LEU A 119
 None
 1.48A 4koyA-3zuqA:
undetectable		 4koyA-3zuqA:
10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LTW_A_486A302_1
(ANCESTRAL STEROID
RECEPTOR 2)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 LEU A 590
VAL A 604
LEU A 583
ILE A 588
ILE A 768
 None
 1.03A 4ltwA-3zuqA:
undetectable		 4ltwA-3zuqA:
13.52
Potential target for repurposing, i.e. matched protein structure has less than 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_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 PHE A 272
ASP A 276
SER A 375
ARG A 370
 None
 1.05A 4lv9A-3zuqA:
undetectable
4lv9B-3zuqA:
undetectable		 4lv9A-3zuqA:
21.07
4lv9B-3zuqA:
21.07
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 PHE A 272
ASP A 276
SER A 375
ARG A 370
 None
 1.07A 4lv9A-3zuqA:
undetectable
4lv9B-3zuqA:
undetectable		 4lv9A-3zuqA:
21.07
4lv9B-3zuqA:
21.07
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.
4OLT_B_GCSB302_1
(CHITOSANASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 5 THR A 281
THR A 284
ASP A 285
TYR A 270
 None
 1.15A 4oltB-3zuqA:
undetectable		 4oltB-3zuqA:
12.90
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.
4QYN_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 PHE A 608
ILE A 799
ALA A 640
LEU A 795
LEU A 590
 None
 1.35A 4qynA-3zuqA:
undetectable		 4qynA-3zuqA:
10.17
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.
4UY8_7_TRP71002_0
(TRYPTOPHANASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 4 ILE A 613
ASN A 617
ILE A 588
VAL A 604
 None
 1.30A 4uy87-3zuqA:
undetectable		 4uy87-3zuqA:
2.34
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.
4XR4_B_AG2B511_1
(HOMOSPERMIDINE
SYNTHASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 VAL A 136
PHE A 129
ARG A 302
 None
 0.94A 4xr4B-3zuqA:
undetectable		 4xr4B-3zuqA:
19.27
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.
4YJI_A_TYLA502_1
(ARYL ACYLAMIDASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 LEU A 352
GLY A 241
GLY A 186
ILE A 299
 None
 0.73A 4yjiA-3zuqA:
undetectable		 4yjiA-3zuqA:
19.82
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.
4ZZ8_A_GCSA208_1
(GLUCANASE/CHITOSANAS
E)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 7 TYR A 575
ASP A 596
ALA A 597
TYR A 605
 None
 1.20A 4zz8A-3zuqA:
undetectable		 4zz8A-3zuqA:
8.66
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 VAL A 250
PRO A 251
ALA A 493
THR A 284
ILE A 279
 None
 1.35A 5hgcA-3zuqA:
undetectable		 5hgcA-3zuqA:
18.15
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.
5L6E_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 ASP A  69
ARG A  68
ASN A 486
GLN A 559
 None
 1.27A 5l6eA-3zuqA:
undetectable		 5l6eA-3zuqA:
13.32
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.
5M0O_C_EPAC502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 8 LEU A 818
ILE A 735
PRO A 824
ALA A 826
 None
 1.01A 5m0oC-3zuqA:
undetectable		 5m0oC-3zuqA:
17.56
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.
5TL8_A_X2NA502_2
(PROTEIN CYP51)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 TYR A 199
PRO A 379
LEU A 378
LEU A 429
 None
 1.16A 5tl8A-3zuqA:
0.0		 5tl8A-3zuqA:
18.85
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.
5UUN_B_ACTB308_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 LEU A 526
ILE A 523
TYR A 365
 None
 0.70A 5uunB-3zuqA:
undetectable		 5uunB-3zuqA:
15.84
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.
5V5Z_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 ILE A 823
GLY A 733
THR A 281
LEU A 502
PHE A 833
 None
 1.17A 5v5zA-3zuqA:
undetectable		 5v5zA-3zuqA:
20.69
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.
5VKQ_A_PCFA1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 ILE A  93
ILE A 159
LEU A 158
PHE A  52
 None
 1.08A 5vkqA-3zuqA:
2.0
5vkqB-3zuqA:
1.9		 5vkqA-3zuqA:
19.01
5vkqB-3zuqA:
19.01
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.
5VKQ_D_PCFD1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		4 / 6 PHE A  52
ILE A  93
ILE A 159
LEU A 158
 None
 1.06A 5vkqA-3zuqA:
2.0
5vkqD-3zuqA:
1.9		 5vkqA-3zuqA:
19.01
5vkqD-3zuqA:
19.01
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.
6BER_A_DVAA2_0
(E(DVA)DP(DGL)(DHI)(D
PR)N(DAL)(DPR))		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 GLU A 268
ASP A 276
PRO A 277
 ZN  A1440 (-2.1A)
None
None
 0.48A 6berA-3zuqA:
undetectable		 6berA-3zuqA:
1.47
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.
6EMU_A_SAMA501_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		6 / 12 LEU A 758
ILE A 799
GLY A 798
ILE A 806
ASP A 804
ILE A 803
 None
 1.48A 6emuA-3zuqA:
undetectable		 6emuA-3zuqA:
11.58
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.
6GNG_B_QPSB601_3
(-)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		3 / 3 ASP A 834
ASP A 730
ASN A 519
 None
 0.71A 6gngB-3zuqA:
undetectable		 6gngB-3zuqA:
20.33
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.
6IFT_A_SAMA301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		 3zuq BOTULINUM NEUROTOXIN
TYPE B
(Clostridium
botulinum) 		5 / 12 ILE A 159
GLY A 189
ILE A 173
ASP A 174
PRO A  25
 None
 0.99A 6iftA-3zuqA:
undetectable		 6iftA-3zuqA:
15.62