SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3win'

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.
1A27_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		 3win HA3
(Clostridium
botulinum) 		5 / 12 SER E 538
VAL E 512
LEU E 504
VAL E 571
GLU E 573
 None
 1.16A 1a27A-3winE:
undetectable		 1a27A-3winE:
18.68
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.
1CEA_A_ACAA90_1
(PLASMINOGEN)		 3win HA3
(Clostridium
botulinum) 		4 / 8 TYR E 313
ARG E 227
TYR E 333
THR E 261
 None
 1.30A 1ceaA-3winE:
undetectable
1ceaB-3winE:
undetectable		 1ceaA-3winE:
10.29
1ceaB-3winE:
10.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ESW_A_ACRA652_1
(AMYLOMALTASE)		 3win HA3
(Clostridium
botulinum) 		4 / 6 GLY D 104
GLY D 150
TYR D 123
SER E 246
 None
 0.89A 1eswA-3winD:
undetectable		 1eswA-3winD:
15.76
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.
2Q6K_A_ADNA699_1
(CHLORINASE)		 3win HA3
(Clostridium
botulinum) 		4 / 7 PHE D  95
TYR D 145
TYR D  72
PRO D  71
 None
 1.35A 2q6kA-3winD:
undetectable		 2q6kA-3winD:
20.61
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.
2W8Y_A_486A1000_2
(PROGESTERONE
RECEPTOR)		 3win HA3
(Clostridium
botulinum) 		4 / 7 LEU E 473
ASN E 509
LEU E 504
TYR E 480
 None
 1.14A 2w8yA-3winE:
undetectable		 2w8yA-3winE:
19.95
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.
2Y7H_C_SAMC530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 3win 17 KD HEMAGGLUTININ
COMPONENT
HA3
(Clostridium
botulinum;
Clostridium
botulinum) 		3 / 3 TYR C  24
GLU C 144
ASN E 546
 None
 0.99A 2y7hC-3winC:
undetectable		 2y7hC-3winC:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A8I_A_C2FA401_0
(AMINOMETHYLTRANSFERA
SE)		 3win HA3
(Clostridium
botulinum) 		5 / 12 ASP E 535
ILE E 537
TYR E 539
VAL E 608
PHE E 461
 None
 1.33A 3a8iA-3winE:
undetectable		 3a8iA-3winE:
22.03
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.
3A8I_D_C2FD401_0
(AMINOMETHYLTRANSFERA
SE)		 3win HA3
(Clostridium
botulinum) 		5 / 12 ASP E 535
ILE E 537
TYR E 539
VAL E 608
PHE E 461
 None
 1.31A 3a8iD-3winE:
undetectable		 3a8iD-3winE:
22.03
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.
3AIA_B_SAMB206_0
(UPF0217 PROTEIN
MJ1640)		 3win HA3
(Clostridium
botulinum) 		4 / 5 SER D  78
LEU D 134
GLY D  28
GLU D 140
 None
 1.21A 3aiaA-3winD:
undetectable
3aiaB-3winD:
undetectable		 3aiaA-3winD:
23.11
3aiaB-3winD:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3win HA3
(Clostridium
botulinum) 		4 / 7 TYR E 558
LEU E 620
SER E 595
THR E 625
 None
 0.98A 3lm8A-3winE:
3.0
3lm8C-3winE:
undetectable		 3lm8A-3winE:
19.87
3lm8C-3winE:
19.87
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.
3Q5S_A_ACHA1289_0
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		 3win HA3
(Clostridium
botulinum) 		4 / 6 ASN E 424
TYR E 578
GLU E 540
ILE E 514
 None
 1.22A 3q5sA-3winE:
undetectable		 3q5sA-3winE:
23.02
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		 3win HA3
(Clostridium
botulinum) 		4 / 7 ASP E 535
ASP E 532
TYR E 212
GLN E 529
 None
 1.08A 3s3oA-3winE:
undetectable		 3s3oA-3winE:
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.
3TGV_B_BEZB1_0
(HEME-BINDING PROTEIN
HUTZ)		 3win 17 KD HEMAGGLUTININ
COMPONENT
(Clostridium
botulinum) 		4 / 6 ARG C  54
PHE C  88
PRO C  89
LEU C 102
 None
 1.29A 3tgvB-3winC:
undetectable		 3tgvB-3winC:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_C_BEZC1_0
(HEME-BINDING PROTEIN
HUTZ)		 3win 17 KD HEMAGGLUTININ
COMPONENT
(Clostridium
botulinum) 		4 / 5 ARG C  54
PHE C  88
PRO C  89
LEU C 102
 None
 1.28A 3tgvC-3winC:
undetectable		 3tgvC-3winC:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VT7_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 3win HA3
(Clostridium
botulinum) 		4 / 4 LEU E 587
ILE E 624
TYR E 604
TYR E 558
 None
 1.16A 3vt7A-3winE:
undetectable		 3vt7A-3winE:
23.04
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.
4JTP_A_ASCA802_0
(RRNA N-GLYCOSIDASE)		 3win HA3
(Clostridium
botulinum) 		4 / 5 TYR D 128
ILE D 130
TYR D  73
ILE D  84
 None
 1.00A 4jtpA-3winD:
undetectable		 4jtpA-3winD:
23.85
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.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3win HA3
(Clostridium
botulinum) 		5 / 12 LEU E 598
LYS E 594
SER E 592
LEU E 589
THR E 625
 None
 1.25A 4q0dC-3winE:
undetectable		 4q0dC-3winE:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3win HA3
(Clostridium
botulinum) 		5 / 12 LEU E 598
LYS E 594
SER E 592
LEU E 589
THR E 625
 None
 1.25A 4q0dD-3winE:
undetectable		 4q0dD-3winE:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TVT_A_ASCA301_0
(THAUMATIN-1)		 3win HA3
(Clostridium
botulinum) 		3 / 3 THR E 625
ASN E 554
SER E 553
 None
 0.78A 4tvtA-3winE:
undetectable		 4tvtA-3winE:
18.71
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.
5CZY_A_SAMA603_0
(LEGIONELLA EFFECTOR
LEGAS4)		 3win HA3
(Clostridium
botulinum) 		5 / 12 SER E 213
ASN E 456
TYR E 217
TYR E 432
TYR E 480
 None
 1.39A 5czyA-3winE:
undetectable		 5czyA-3winE:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_A_1GNA615_1
(PHIAB6 TAILSPIKE)		 3win HA3
(Clostridium
botulinum) 		3 / 3 TYR E 457
TYR E 616
GLN E 529
 None
 1.10A 5jsdA-3winE:
3.2
5jsdB-3winE:
3.0		 5jsdA-3winE:
20.63
5jsdB-3winE:
20.63
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.
5JSD_B_1GNB606_1
(PHIAB6 TAILSPIKE)		 3win HA3
(Clostridium
botulinum) 		3 / 3 TYR E 457
TYR E 616
GLN E 529
 None
 1.11A 5jsdB-3winE:
3.0
5jsdC-3winE:
2.9		 5jsdB-3winE:
20.63
5jsdC-3winE:
20.63
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		 3win HA3
(Clostridium
botulinum) 		4 / 6 THR E 552
ASN E 600
ARG E 597
ILE E 624
 None
 1.06A 5uigA-3winE:
undetectable		 5uigA-3winE:
21.04
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 3win HA3
(Clostridium
botulinum) 		4 / 6 GLY D 150
TYR D 151
LEU D  47
VAL D  60
 None
 0.94A 5x80A-3winD:
undetectable
5x80B-3winD:
undetectable		 5x80A-3winD:
20.00
5x80B-3winD:
20.00