SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2pk3'

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.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 12 LEU A 134
ALA A 145
ILE A 109
THR A 111
ARG A 166
 None
 1.07A 1crbA-2pk3A:
undetectable		 1crbA-2pk3A:
18.18
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.
1V8B_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		3 / 3 GLU A 130
GLU A 117
LEU A 276
 None
 0.71A 1v8bA-2pk3A:
5.3		 1v8bA-2pk3A:
21.60
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.
1Z95_A_198A501_2
(ANDROGEN RECEPTOR)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		4 / 6 LEU A   4
LEU A  97
LEU A 105
ILE A 162
 None
 1.02A 1z95A-2pk3A:
undetectable		 1z95A-2pk3A:
20.99
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 12 ASN A 169
PHE A 168
THR A 242
VAL A 208
SER A 115
 GDD  A 410 (-3.1A)
None
None
None
GDD  A 410 (-2.4A)
 1.42A 2o7oA-2pk3A:
undetectable		 2o7oA-2pk3A:
20.68
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.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 12 ASN A 169
PHE A 168
THR A 242
VAL A 208
SER A 115
 GDD  A 410 (-3.1A)
None
None
None
GDD  A 410 (-2.4A)
 1.48A 2xrlA-2pk3A:
undetectable		 2xrlA-2pk3A:
20.68
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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		4 / 4 SER A 176
GLY A   7
GLY A  13
LYS A  14
 A2R  A 401 ( 4.7A)
A2R  A 401 ( 4.1A)
None
None
 1.36A 2y4nB-2pk3A:
3.8		 2y4nB-2pk3A:
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.
2ZBZ_A_VDXA501_1
(CYTOCHROME P450-SU1)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 11 THR A  88
VAL A 147
LEU A  97
VAL A  96
ILE A 109
 A2R  A 401 ( 4.1A)
None
None
None
None
 0.73A 2zbzA-2pk3A:
undetectable		 2zbzA-2pk3A:
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 12 LEU A  97
THR A 165
THR A 167
HIS A 170
ILE A 217
 None
None
None
A2R  A 401 ( 3.9A)
None
 1.28A 3sp9A-2pk3A:
undetectable		 3sp9A-2pk3A:
26.63
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.
3SP9_B_IL2B901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 12 LEU A  97
THR A 165
THR A 167
HIS A 170
ILE A 217
 None
None
None
A2R  A 401 ( 3.9A)
None
 1.27A 3sp9B-2pk3A:
undetectable		 3sp9B-2pk3A:
26.63
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.
3VYW_A_SAMA501_0
(MNMC2)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 12 TYR A 118
GLY A 113
LEU A 134
GLU A 130
PHE A 168
 None
 1.10A 3vywA-2pk3A:
undetectable		 3vywA-2pk3A:
21.64
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.
3ZOS_A_0LIA1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 9 ILE A 112
LEU A 110
ILE A 163
ILE A 162
TYR A 158
 A2R  A 401 (-4.2A)
None
None
None
None
 1.09A 3zosA-2pk3A:
undetectable		 3zosA-2pk3A:
23.58
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.
4V2G_B_CTCB222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 12 ASN A 169
PHE A 168
THR A 242
VAL A 208
SER A 115
 GDD  A 410 (-3.1A)
None
None
None
GDD  A 410 (-2.4A)
 1.43A 4v2gB-2pk3A:
0.0		 4v2gB-2pk3A:
20.68
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.
5A06_B_SORB1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		4 / 7 ILE A   5
LEU A  69
GLY A  10
GLY A  13
 None
A2R  A 401 (-4.2A)
A2R  A 401 (-3.3A)
None
 0.87A 5a06B-2pk3A:
5.0		 5a06B-2pk3A:
20.33
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.
5SYE_B_TA1B502_1
(TUBULIN BETA CHAIN)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 12 ASP A  60
ASP A  50
ALA A  99
SER A 103
PRO A  63
 None
 1.28A 5syeB-2pk3A:
5.9		 5syeB-2pk3A:
23.73
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.
5XDH_A_DAHA60_1
(PUTATIVE CYTOCHROME
C)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		4 / 6 HIS A 164
ASN A  89
VAL A 142
LEU A 134
 None
 1.27A 5xdhA-2pk3A:
0.0
5xdhC-2pk3A:
0.0		 5xdhA-2pk3A:
14.79
5xdhC-2pk3A:
14.79
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.
5XDH_B_DAHB60_1
(PUTATIVE CYTOCHROME
C)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		4 / 5 HIS A 164
ASN A  89
VAL A 142
LEU A 134
 None
 1.24A 5xdhB-2pk3A:
0.0		 5xdhB-2pk3A:
14.79
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.
5XDH_C_DAHC60_1
(PUTATIVE CYTOCHROME
C)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		4 / 6 HIS A 164
ASN A  89
VAL A 142
LEU A 134
 None
 1.33A 5xdhA-2pk3A:
undetectable
5xdhC-2pk3A:
0.0		 5xdhA-2pk3A:
14.79
5xdhC-2pk3A:
14.79
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.
5XDH_D_DAHD60_1
(PUTATIVE CYTOCHROME
C)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		4 / 5 HIS A 164
ASN A  89
VAL A 142
LEU A 134
 None
 1.23A 5xdhD-2pk3A:
undetectable		 5xdhD-2pk3A:
14.79
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.
6B0I_B_TA1B502_1
(TUBULIN BETA CHAIN)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 12 ASP A  50
ALA A  99
SER A 103
PRO A  63
LEU A   4
 None
 1.10A 6b0iB-2pk3A:
6.6		 6b0iB-2pk3A:
16.25