SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4koa'

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.
1AV2_B_DVAB8_0
(GRAMICIDIN A)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		3 / 3 VAL A  28
VAL A  64
TRP A   4
 None
 0.87A 1av2A-4koaA:
undetectable
1av2B-4koaA:
undetectable		 1av2A-4koaA:
5.16
1av2B-4koaA:
5.16
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		4 / 8 SER A 301
ALA A 286
ILE A 287
ASN A 125
 None
 1.12A 1pnlA-4koaA:
undetectable
1pnlB-4koaA:
1.8		 1pnlA-4koaA:
22.02
1pnlB-4koaA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PXX_B_DIFB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		5 / 9 TYR A  68
VAL A  31
GLY A   8
ALA A   9
SER A  10
 None
None
NDP  A 500 (-2.9A)
NDP  A 500 (-3.6A)
NDP  A 500 (-3.9A)
 1.20A 1pxxB-4koaA:
undetectable		 1pxxB-4koaA:
20.16
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.
1PXX_D_DIFD3701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		5 / 10 TYR A  68
VAL A  31
GLY A   8
ALA A   9
SER A  10
 None
None
NDP  A 500 (-2.9A)
NDP  A 500 (-3.6A)
NDP  A 500 (-3.9A)
 1.16A 1pxxD-4koaA:
undetectable		 1pxxD-4koaA:
20.16
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.
2IZQ_C_DVAC8_0
(GRAMICIDIN D)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		3 / 3 VAL A  64
TRP A   4
VAL A  28
 None
 0.94A 2izqC-4koaA:
undetectable
2izqD-4koaA:
undetectable		 2izqC-4koaA:
5.16
2izqD-4koaA:
5.16
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.
2V0M_B_KLNB1498_1
(CYTOCHROME P450 3A4)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		5 / 9 LEU A 175
ALA A 316
GLU A 305
GLY A 103
LEU A 100
 None
 1.27A 2v0mB-4koaA:
undetectable		 2v0mB-4koaA:
20.65
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		3 / 3 LEU A 100
GLU A 330
ILE A 329
 None
 0.50A 3czhA-4koaA:
undetectable		 3czhA-4koaA:
20.37
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.
3PFG_A_SAMA264_1
(N-METHYLTRANSFERASE)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		3 / 3 TYR A 283
TYR A  68
GLU A  15
 None
 0.90A 3pfgA-4koaA:
4.2		 3pfgA-4koaA:
25.63
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		4 / 8 ALA A 226
LEU A 185
ASP A 191
SER A 222
 None
 0.90A 3qj7A-4koaA:
undetectable
3qj7D-4koaA:
undetectable		 3qj7A-4koaA:
22.12
3qj7D-4koaA:
22.12
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.
3UNI_B_SALB1345_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		4 / 8 LEU A  81
VAL A  90
LEU A 117
ALA A 113
 None
 0.83A 3uniB-4koaA:
undetectable		 3uniB-4koaA:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		5 / 12 TYR A  68
VAL A  31
GLY A   8
ALA A   9
SER A  10
 None
None
NDP  A 500 (-2.9A)
NDP  A 500 (-3.6A)
NDP  A 500 (-3.9A)
 1.10A 4coxA-4koaA:
0.6		 4coxA-4koaA:
20.10
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.
4COX_B_IMNB701_1
(CYCLOOXYGENASE-2)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		5 / 12 TYR A  68
VAL A  31
GLY A   8
ALA A   9
SER A  10
 None
None
NDP  A 500 (-2.9A)
NDP  A 500 (-3.6A)
NDP  A 500 (-3.9A)
 1.11A 4coxB-4koaA:
undetectable		 4coxB-4koaA:
20.10
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.
4COX_C_IMNC701_1
(CYCLOOXYGENASE-2)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		5 / 12 TYR A  68
VAL A  31
GLY A   8
ALA A   9
SER A  10
 None
None
NDP  A 500 (-2.9A)
NDP  A 500 (-3.6A)
NDP  A 500 (-3.9A)
 1.11A 4coxC-4koaA:
0.0		 4coxC-4koaA:
20.10
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.
4COX_D_IMND701_1
(CYCLOOXYGENASE-2)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		5 / 12 TYR A  68
VAL A  31
GLY A   8
ALA A   9
SER A  10
 None
None
NDP  A 500 (-2.9A)
NDP  A 500 (-3.6A)
NDP  A 500 (-3.9A)
 1.11A 4coxD-4koaA:
undetectable		 4coxD-4koaA:
20.10
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.
4EQ4_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		4 / 8 THR A  71
ILE A   7
VAL A  59
GLY A  78
 NDP  A 500 (-4.6A)
None
None
None
 0.95A 4eq4B-4koaA:
undetectable		 4eq4B-4koaA:
19.97
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		4 / 8 SER A  70
SER A  10
ILE A  18
GLU A  15
 NDP  A 500 (-4.9A)
NDP  A 500 (-3.9A)
None
None
 1.36A 4ms4A-4koaA:
5.1		 4ms4A-4koaA:
24.12
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.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		6 / 12 ALA A 147
MET A 256
VAL A 149
HIS A 121
ALA A 182
ASP A 183
 None
 1.32A 4v01A-4koaA:
undetectable		 4v01A-4koaA:
22.07
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.
4Z2E_F_TR6F101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		4 / 5 GLY A 252
ARG A 253
GLY A 240
GLU A 238
 None
 1.26A 4z2eB-4koaA:
undetectable
4z2eC-4koaA:
2.2		 4z2eB-4koaA:
23.11
4z2eC-4koaA:
22.44
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.
5A06_A_SORA1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		4 / 6 ASP A  65
LYS A  88
HIS A  89
ILE A 294
 None
 0.44A 5a06A-4koaA:
37.3		 5a06A-4koaA:
28.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_B_SORB1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		4 / 7 LYS A  94
PHE A 232
ASP A 176
ILE A 177
 NDP  A 500 (-3.2A)
None
NDP  A 500 (-2.9A)
None
 1.24A 5a06B-4koaA:
37.3		 5a06B-4koaA:
28.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_B_SORB1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		4 / 5 ASP A  65
LYS A  88
HIS A  89
ILE A 294
 None
 0.49A 5a06B-4koaA:
37.3		 5a06B-4koaA:
28.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_D_SORD1344_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		4 / 5 ASP A  65
LYS A  88
HIS A  89
ILE A 294
 None
 0.46A 5a06D-4koaA:
37.3		 5a06D-4koaA:
28.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_F_SORF1344_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		4 / 5 ASP A  65
LYS A  88
HIS A  89
ILE A 294
 None
 0.47A 5a06F-4koaA:
37.3		 5a06F-4koaA:
28.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		5 / 10 ALA A 147
VAL A 224
ILE A 194
THR A 313
ALA A 182
 None
 1.22A 6h1lA-4koaA:
undetectable		 6h1lA-4koaA:
21.79
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.
6MDQ_A_TESA604_0
(SERUM ALBUMIN)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		4 / 8 GLY A 304
LEU A 117
ALA A 110
LYS A 109
 None
 0.79A 6mdqA-4koaA:
undetectable		 6mdqA-4koaA:
11.94
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.
6NQA_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE
(Sinorhizobium
meliloti) 		5 / 10 THR A 257
GLY A 252
GLY A 240
GLU A 242
ASN A 254
 None
 1.20A 6nqaK-4koaA:
undetectable		 6nqaK-4koaA:
22.50