SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3kje'

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.
1IEP_B_STIB202_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		4 / 7 VAL A 193
VAL A  16
ILE A 161
LEU A  20
 None
 0.99A 1iepB-3kjeA:
undetectable		 1iepB-3kjeA:
23.51
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		5 / 12 VAL A 186
LEU A 129
ALA A 153
ALA A   4
VAL A 135
 None
 1.03A 1sa1A-3kjeA:
3.4
1sa1B-3kjeA:
3.7		 1sa1A-3kjeA:
20.27
1sa1B-3kjeA:
19.78
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.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		5 / 12 VAL A 186
LEU A 129
ALA A 153
ALA A   4
VAL A 135
 None
 1.03A 1sa1C-3kjeA:
4.7
1sa1D-3kjeA:
4.8		 1sa1C-3kjeA:
20.27
1sa1D-3kjeA:
19.78
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.
1SV9_A_DIFA701_1
(PHOSPHOLIPASE A2)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		4 / 8 ALA A  25
ILE A  97
GLY A  19
HIS A 243
 None
 0.82A 1sv9A-3kjeA:
undetectable		 1sv9A-3kjeA:
19.77
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.
1T3R_A_017A1200_1
(PROTEASE RETROPEPSIN)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		6 / 10 ASP A 138
GLY A  36
ASP A  39
GLY A 142
ILE A 143
VAL A 160
 None
 1.21A 1t3rA-3kjeA:
undetectable		 1t3rA-3kjeA:
19.63
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.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		6 / 12 ASP A 138
GLY A  36
ASP A  39
GLY A 142
ILE A 143
VAL A 160
 None
 1.23A 2avvB-3kjeA:
undetectable		 2avvB-3kjeA:
19.16
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.
2QHF_A_NCAA493_0
(CHORISMATE SYNTHASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		5 / 11 ALA A 178
ILE A 143
ALA A   6
ALA A   4
VAL A 154
 None
 1.18A 2qhfA-3kjeA:
undetectable		 2qhfA-3kjeA:
22.16
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.
2QQC_E_AG2E671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		4 / 7 ARG A 115
LEU A  78
LEU A  75
GLY A  74
 None
 0.96A 2qqcD-3kjeA:
undetectable
2qqcE-3kjeA:
undetectable		 2qqcD-3kjeA:
19.76
2qqcE-3kjeA:
10.98
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.
2VJ1_A_BEZA1303_0
(SARS CORONAVIRUS
MAIN PROTEINASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		3 / 3 HIS A 145
MET A 137
MET A 102
 None
 0.93A 2vj1A-3kjeA:
undetectable		 2vj1A-3kjeA:
22.39
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		4 / 6 LEU A  99
ILE A  21
THR A  14
THR A  45
 None
 1.07A 3mdrA-3kjeA:
undetectable		 3mdrA-3kjeA:
21.38
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.
3N3I_A_ROCA201_2
(PROTEASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		4 / 6 ILE A 183
ASP A  39
GLY A 142
VAL A 160
 None
 0.91A 3n3iA-3kjeA:
undetectable		 3n3iA-3kjeA:
19.46
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.
3OU6_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		5 / 12 LEU A 242
ALA A  17
GLY A  19
MET A  24
ALA A   4
 None
 1.31A 3ou6C-3kjeA:
undetectable		 3ou6C-3kjeA:
19.69
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.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		5 / 12 LEU A 242
ALA A  17
GLY A  19
MET A  24
ALA A   4
 None
 1.32A 3ou7C-3kjeA:
undetectable		 3ou7C-3kjeA:
19.69
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.
3OY4_B_017B200_2
(HIV-1 PROTEASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		6 / 10 ASP A 138
GLY A  36
ASP A  39
GLY A 142
ILE A 143
VAL A 160
 None
 1.19A 3oy4B-3kjeA:
undetectable		 3oy4B-3kjeA:
19.16
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.
3VW1_D_CVID301_1
(PUTATIVE REGULATORY
PROTEIN)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		3 / 3 TYR A  92
MET A 102
LEU A 127
 None
 0.91A 3vw1D-3kjeA:
undetectable		 3vw1D-3kjeA:
20.60
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.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		6 / 10 ASP A 138
GLY A  36
ASP A  39
GLY A 142
ILE A 143
VAL A 160
 None
 1.24A 4dqbB-3kjeA:
undetectable		 4dqbB-3kjeA:
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.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		6 / 10 ASP A 138
GLY A  36
ASP A  39
GLY A 142
ILE A 143
VAL A 160
 None
 1.25A 4dqeB-3kjeA:
undetectable		 4dqeB-3kjeA:
19.16
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		6 / 10 ASP A 138
GLY A  36
ASP A  39
GLY A 142
ILE A 143
VAL A 160
 None
 1.22A 4dqfB-3kjeA:
undetectable		 4dqfB-3kjeA:
19.01
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.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		6 / 10 ASP A 138
GLY A  36
ASP A  39
GLY A 142
ILE A 143
VAL A 160
 None
 1.23A 4dqhB-3kjeA:
undetectable		 4dqhB-3kjeA:
19.16
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.
4EM2_A_SALA504_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		4 / 8 GLY A  19
LEU A  20
ILE A  21
THR A  45
 None
 0.81A 4em2A-3kjeA:
1.1		 4em2A-3kjeA:
21.40
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.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		6 / 9 ASP A 138
GLY A  36
ASP A  39
GLY A 142
ILE A 143
VAL A 160
 None
 1.21A 4q1wA-3kjeA:
undetectable		 4q1wA-3kjeA:
19.35
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.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		6 / 11 ASP A 138
GLY A  36
ASP A  39
GLY A 142
ILE A 143
VAL A 160
 None
 1.22A 4q1xA-3kjeA:
undetectable		 4q1xA-3kjeA:
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.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		6 / 10 ASP A 138
GLY A  36
ASP A  39
GLY A 142
ILE A 143
VAL A 160
 None
 1.21A 4q1yA-3kjeA:
undetectable		 4q1yA-3kjeA:
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.
4QGI_A_ROCA101_1
(PROTEASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		6 / 11 ASP A 138
GLY A  36
ASP A  39
GLY A 142
ILE A 143
VAL A 160
 None
 1.36A 4qgiA-3kjeA:
undetectable		 4qgiA-3kjeA:
18.22
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.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		3 / 3 SER A 167
GLU A 175
GLU A 252
 None
 0.84A 4ymgB-3kjeA:
undetectable		 4ymgB-3kjeA:
19.56
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.
4ZZC_E_ACTE406_0
(PROTON-GATED ION
CHANNEL)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		4 / 5 ILE A 161
ILE A 174
TYR A 188
GLU A 175
 None
 1.26A 4zzcE-3kjeA:
undetectable		 4zzcE-3kjeA:
21.71
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.
5O96_H_SAMH501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		5 / 10 LEU A  46
GLY A 228
LEU A  42
VAL A  11
ALA A  18
 None
 1.07A 5o96G-3kjeA:
2.3
5o96H-3kjeA:
undetectable		 5o96G-3kjeA:
24.67
5o96H-3kjeA:
24.67
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.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		4 / 6 ILE A  97
ASP A  35
LEU A  42
GLY A  43
 None
 0.98A 5x5qE-3kjeA:
undetectable		 5x5qE-3kjeA:
22.22
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.
6FGD_A_D8ZA831_0
(GEPHYRIN)		 3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC
(Carboxydothermus
hydrogenoformans) 		5 / 11 MET A 137
ASP A 138
LEU A 146
ILE A 174
MET A 157
 None
 1.24A 6fgdA-3kjeA:
2.2		 6fgdA-3kjeA:
16.96