SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2bu2'

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.
1IGX_A_EPAA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		4 / 8 VAL A  73
TYR A 145
ILE A  56
LEU A  63
 None
 0.83A 1igxA-2bu2A:
undetectable		 1igxA-2bu2A:
23.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BU8_A_TF4A1379_1
(PYRUVATE
DEHYDROGENASE KINASE
ISOENZYME 2)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		8 / 8 LEU A  53
TYR A  80
ILE A 111
HIS A 115
ARG A 154
ILE A 157
ARG A 158
ILE A 161
 None
 0.17A 2bu8A-2bu2A:
52.2		 2bu8A-2bu2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q8H_A_TF4A438_1
([PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		4 / 6 LEU A  53
ILE A 111
ARG A 158
ILE A 157
 None
 0.89A 2q8hA-2bu2A:
46.6		 2q8hA-2bu2A:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q8H_A_TF4A438_1
([PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		5 / 6 LEU A  53
TYR A  80
ARG A 154
ILE A 157
ARG A 158
 None
 0.84A 2q8hA-2bu2A:
46.6		 2q8hA-2bu2A:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q8H_A_TF4A438_1
([PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		5 / 6 LEU A  53
TYR A  80
ILE A 111
ARG A 154
ILE A 157
 None
 0.57A 2q8hA-2bu2A:
46.6		 2q8hA-2bu2A:
68.56
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.
2QWX_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		4 / 8 PHE A 150
ILE A  56
PHE A 146
ILE A  12
 None
 0.96A 2qwxA-2bu2A:
undetectable
2qwxB-2bu2A:
undetectable		 2qwxA-2bu2A:
19.70
2qwxB-2bu2A:
19.70
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.
3BOG_C_DVAC59_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		3 / 3 GLY A 321
GLY A 317
GLY A 319
 ATP  A1386 (-3.7A)
ATP  A1386 (-3.8A)
ATP  A1386 (-2.9A)
 0.34A 3bogC-2bu2A:
undetectable		 3bogC-2bu2A:
8.90
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.
3BOG_D_DVAD47_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		4 / 4 GLY A 284
GLY A 286
GLY A 343
GLY A 345
 None
ATP  A1386 ( 4.9A)
None
None
 0.63A 3bogD-2bu2A:
undetectable		 3bogD-2bu2A:
8.90
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.
3D4S_A_TIMA401_1
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		5 / 12 TRP A  79
VAL A  73
PHE A 146
TYR A 151
TYR A  80
 None
 1.30A 3d4sA-2bu2A:
2.1		 3d4sA-2bu2A:
20.55
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.
3K4V_B_ROCB201_2
(HIV-1 PROTEASE)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		3 / 3 ARG A 149
VAL A 138
THR A 376
 None
 0.85A 3k4vA-2bu2A:
undetectable		 3k4vA-2bu2A:
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.
3LP9_D_SPMD230_1
(LS-24)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		3 / 3 GLU A 218
GLU A 191
ASN A 188
 None
 0.74A 3lp9B-2bu2A:
undetectable
3lp9D-2bu2A:
undetectable		 3lp9B-2bu2A:
19.85
3lp9D-2bu2A:
19.85
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.
3NDU_D_ROCD100_3
(PROTEASE)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		3 / 3 ARG A 149
VAL A 138
THR A 376
 None
 0.75A 3nduD-2bu2A:
undetectable		 3nduD-2bu2A:
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.
3SGL_A_SAMA692_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		5 / 12 GLY A 319
GLY A 317
LEU A 315
VAL A 119
GLY A 321
 ATP  A1386 (-2.9A)
ATP  A1386 (-3.8A)
None
None
ATP  A1386 (-3.7A)
 0.78A 3sglA-2bu2A:
undetectable		 3sglA-2bu2A:
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.
3TL9_A_ROCA401_2
(PROTEASE)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		3 / 3 ARG A 149
VAL A 138
THR A 376
 None
 0.85A 3tl9A-2bu2A:
undetectable		 3tl9A-2bu2A:
16.10
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.
3UT5_B_LOCB502_1
(TUBULIN BETA CHAIN)		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		5 / 12 LYS A 246
ASN A 247
THR A 346
ALA A 348
ILE A 350
 ATP  A1386 ( 4.1A)
MG  A1388 ( 2.7A)
ATP  A1386 (-3.9A)
None
None
 1.12A 3ut5B-2bu2A:
undetectable		 3ut5B-2bu2A:
21.99
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.
4QOG_A_ML1A302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2
(Homo
sapiens) 		4 / 8 PHE A 150
ILE A  56
PHE A 146
ILE A  12
 None
 0.96A 4qogA-2bu2A:
undetectable
4qogB-2bu2A:
undetectable		 4qogA-2bu2A:
19.70
4qogB-2bu2A:
19.70