SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4kys'

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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 4kys THIAMINE
PYRIDINYLASE I
(Clostridium
botulinum) 		5 / 11 PHE A  91
PHE A  93
GLY A 105
ILE A 131
LEU A  98
 None
 1.02A 1z11A-4kysA:
undetectable		 1z11A-4kysA:
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.
1Z11_B_8MOB501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 4kys THIAMINE
PYRIDINYLASE I
(Clostridium
botulinum) 		5 / 11 PHE A  91
PHE A  93
GLY A 105
ILE A 131
LEU A  98
 None
 1.06A 1z11B-4kysA:
undetectable		 1z11B-4kysA:
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.
2VDB_A_NPSA1591_1
(SERUM ALBUMIN)		 4kys THIAMINE
PYRIDINYLASE I
(Clostridium
botulinum) 		4 / 8 LEU A 147
PHE A 148
ARG A 254
GLY A 268
 None
 0.91A 2vdbA-4kysA:
undetectable		 2vdbA-4kysA:
20.70
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.
3D91_A_REMA350_1
(RENIN)		 4kys THIAMINE
PYRIDINYLASE I
(Clostridium
botulinum) 		5 / 12 ASP A 302
GLY A 301
PHE A  55
LEU A 380
ALA A 125
 VIB  A 501 (-2.9A)
None
None
None
None
 1.12A 3d91A-4kysA:
undetectable		 3d91A-4kysA:
20.09
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.
3W9T_B_W9TB513_1
(HEMOLYTIC LECTIN
CEL-III)		 4kys THIAMINE
PYRIDINYLASE I
(Clostridium
botulinum) 		4 / 6 THR A  40
ASN A  73
ASP A  89
ILE A 310
 None
 1.45A 3w9tB-4kysA:
undetectable		 3w9tB-4kysA:
19.33
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.
3W9T_B_W9TB513_1
(HEMOLYTIC LECTIN
CEL-III)		 4kys THIAMINE
PYRIDINYLASE I
(Clostridium
botulinum) 		4 / 6 THR A 144
ASN A 145
ASP A 201
ILE A 204
 None
None
MG  A 503 (-3.2A)
None
 1.41A 3w9tB-4kysA:
undetectable		 3w9tB-4kysA:
19.33
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.
4KT0_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4kys THIAMINE
PYRIDINYLASE I
(Clostridium
botulinum) 		5 / 11 GLY A 238
LEU A 185
GLY A 184
ILE A 372
LEU A 369
 None
 1.02A 4kt0A-4kysA:
undetectable
4kt0J-4kysA:
undetectable		 4kt0A-4kysA:
18.64
4kt0J-4kysA:
8.01
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.
5FSA_B_X2NB590_2
(CYP51 VARIANT1)		 4kys THIAMINE
PYRIDINYLASE I
(Clostridium
botulinum) 		3 / 3 PRO A 246
LEU A 186
SER A 251
 None
 0.54A 5fsaB-4kysA:
undetectable		 5fsaB-4kysA:
22.50
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.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		 4kys THIAMINE
PYRIDINYLASE I
(Clostridium
botulinum) 		5 / 12 ILE A 267
ALA A 237
GLY A 238
ALA A 242
ILE A 187
 None
 0.89A 5kb6A-4kysA:
undetectable		 5kb6A-4kysA:
21.96
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.
5KB6_B_ADNB401_1
(ADENOSINE KINASE)		 4kys THIAMINE
PYRIDINYLASE I
(Clostridium
botulinum) 		5 / 12 ILE A 267
ALA A 237
GLY A 238
ALA A 242
ILE A 187
 None
 0.88A 5kb6B-4kysA:
undetectable		 5kb6B-4kysA:
21.96
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.
5X6Y_A_SAMA902_1
(MRNA CAPPING ENZYME
P5)		 4kys THIAMINE
PYRIDINYLASE I
(Clostridium
botulinum) 		3 / 3 TYR A  46
ASP A  78
ASP A  94
 VIB  A 501 (-4.4A)
None
VIB  A 501 (-3.4A)
 0.82A 5x6yA-4kysA:
undetectable		 5x6yA-4kysA:
20.02
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.
6BXN_B_SAMB901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 4kys THIAMINE
PYRIDINYLASE I
(Clostridium
botulinum) 		5 / 12 LEU A 179
GLY A 263
VAL A 159
ILE A 156
ASP A 155
 None
 1.27A 6bxnB-4kysA:
undetectable		 6bxnB-4kysA:
22.07