SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2whd'

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.
1EKJ_G_ACTG3009_0
(BETA-CARBONIC
ANHYDRASE)		 2whd THIOREDOXIN
REDUCTASE
(Hordeum
vulgare) 		4 / 5 GLY A 173
LEU A 176
THR A 177
VAL A 162
 None
 0.84A 1ekjF-2whdA:
undetectable
1ekjG-2whdA:
undetectable		 1ekjF-2whdA:
20.17
1ekjG-2whdA:
20.17
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.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		 2whd THIOREDOXIN
REDUCTASE
(Hordeum
vulgare) 		5 / 10 LEU A   9
VAL A 106
ILE A  16
GLY A  17
THR A 111
 None
None
FAD  A 400 (-4.9A)
FAD  A 400 (-3.3A)
None
 1.02A 1k6cA-2whdA:
undetectable		 1k6cA-2whdA:
14.91
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.
1RLB_E_REAE176_1
(RETINOL BINDING
PROTEIN)		 2whd THIOREDOXIN
REDUCTASE
(Hordeum
vulgare) 		5 / 10 LEU A  53
ALA A  22
VAL A  59
GLN A 301
ASP A 293
 FAD  A 400 (-4.0A)
None
FAD  A 400 ( 3.8A)
FAD  A 400 (-4.1A)
FAD  A 400 (-3.0A)
 0.94A 1rlbE-2whdA:
undetectable		 1rlbE-2whdA:
18.49
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.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 2whd THIOREDOXIN
REDUCTASE
(Hordeum
vulgare) 		3 / 3 SER A 100
GLN A 265
PHE A  99
 None
 0.79A 3g4lC-2whdA:
undetectable		 3g4lC-2whdA:
21.48
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		 2whd THIOREDOXIN
REDUCTASE
(Hordeum
vulgare) 		5 / 12 LEU A 262
GLY A 264
LEU A 266
ALA A 275
ASP A 271
 None
 1.01A 3gwwA-2whdA:
undetectable		 3gwwA-2whdA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SO9_A_017A100_1
(HIV-1 PROTEASE)		 2whd THIOREDOXIN
REDUCTASE
(Hordeum
vulgare) 		4 / 8 GLY A 230
ALA A 229
GLY A 141
ILE A 142
 None
 0.63A 3so9A-2whdA:
undetectable		 3so9A-2whdA:
15.50
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.
3SO9_A_017A100_2
(HIV-1 PROTEASE)		 2whd THIOREDOXIN
REDUCTASE
(Hordeum
vulgare) 		6 / 12 LEU A   9
VAL A 106
ILE A  16
GLY A  17
THR A 111
VAL A 113
 None
None
FAD  A 400 (-4.9A)
FAD  A 400 (-3.3A)
None
None
 1.18A 3so9B-2whdA:
undetectable		 3so9B-2whdA:
15.50
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.
3SO9_A_017A100_2
(HIV-1 PROTEASE)		 2whd THIOREDOXIN
REDUCTASE
(Hordeum
vulgare) 		5 / 12 VAL A 106
ILE A  16
ILE A  89
THR A 111
VAL A 113
 None
FAD  A 400 (-4.9A)
None
None
None
 0.81A 3so9B-2whdA:
undetectable		 3so9B-2whdA:
15.50
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.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		 2whd THIOREDOXIN
REDUCTASE
(Hordeum
vulgare) 		5 / 11 VAL A 216
PHE A 131
ILE A 253
GLY A 164
LEU A 249
 None
None
FLC  A 401 (-4.2A)
FLC  A 401 ( 4.0A)
None
 1.13A 3t3rA-2whdA:
undetectable		 3t3rA-2whdA:
22.09
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 2whd THIOREDOXIN
REDUCTASE
(Hordeum
vulgare) 		4 / 7 PRO A  63
LEU A  74
LEU A  53
ILE A 303
 None
None
FAD  A 400 (-4.0A)
None
 1.01A 3u5jA-2whdA:
undetectable		 3u5jA-2whdA:
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.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2whd THIOREDOXIN
REDUCTASE
(Hordeum
vulgare) 		4 / 5 ILE A  15
VAL A  13
CYH A 310
HIS A  23
 None
 1.28A 4rzvA-2whdA:
undetectable		 4rzvA-2whdA:
20.56
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.
5VLM_H_CVIH301_1
(REGULATORY PROTEIN
TETR)		 2whd THIOREDOXIN
REDUCTASE
(Hordeum
vulgare) 		4 / 8 GLN A  52
GLY A  50
ILE A  72
ASP A  76
 FAD  A 400 (-3.9A)
FAD  A 400 ( 4.7A)
None
None
 1.01A 5vlmH-2whdA:
undetectable		 5vlmH-2whdA:
19.09
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.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		 2whd THIOREDOXIN
REDUCTASE
(Hordeum
vulgare) 		5 / 12 ALA A 305
SER A 308
LEU A  53
THR A  54
GLY A  17
 FAD  A 400 ( 3.8A)
None
FAD  A 400 (-4.0A)
None
FAD  A 400 (-3.3A)
 0.92A 6b0cD-2whdA:
undetectable		 6b0cD-2whdA:
13.94