SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4jcs'

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_D_DVAD8_0
(GRAMICIDIN A)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		3 / 3 VAL A  51
VAL A  49
TRP A  14
 None
 0.89A 1av2C-4jcsA:
undetectable
1av2D-4jcsA:
undetectable		 1av2C-4jcsA:
6.92
1av2D-4jcsA:
6.92
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.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		3 / 3 LEU A  52
SER A  54
ASN A  18
 None
 0.62A 1bx4A-4jcsA:
undetectable		 1bx4A-4jcsA:
21.21
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.
1W5U_D_DVAD8_0
(GRAMICIDIN D)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		3 / 3 VAL A  51
VAL A  49
TRP A  14
 None
 0.89A 1w5uC-4jcsA:
undetectable
1w5uD-4jcsA:
undetectable		 1w5uC-4jcsA:
6.92
1w5uD-4jcsA:
6.92
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.
1WOP_A_FFOA2887_1
(AMINOMETHYLTRANSFERA
SE)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		3 / 3 ASP A 169
GLU A 160
ARG A 136
 None
 0.82A 1wopA-4jcsA:
undetectable		 1wopA-4jcsA:
24.23
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.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		4 / 7 ARG A 191
GLU A 184
PRO A 126
ALA A 170
 None
 1.23A 2ejgA-4jcsA:
undetectable		 2ejgA-4jcsA:
20.14
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.
2Y7K_B_SALB1305_1
(LYSR-TYPE REGULATORY
PROTEIN)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		4 / 5 SER A 125
ARG A 127
PRO A  56
GLY A  57
 None
 1.00A 2y7kB-4jcsA:
undetectable		 2y7kB-4jcsA:
21.00
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.
2Y7P_A_SALA1001_1
(LYSR-TYPE REGULATORY
PROTEIN)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		4 / 6 SER A 125
ARG A 127
PRO A  56
GLY A  57
 None
 1.05A 2y7pA-4jcsA:
undetectable		 2y7pA-4jcsA:
21.00
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.
3L8L_B_DVAB8_0
(GRAMICIDIN D)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		3 / 3 VAL A  51
VAL A  49
TRP A  14
 None
 0.74A 3l8lA-4jcsA:
undetectable
3l8lB-4jcsA:
undetectable		 3l8lA-4jcsA:
6.92
3l8lB-4jcsA:
6.92
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.
4RS0_A_IBPA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		5 / 9 SER A 116
LEU A 178
GLY A 144
ALA A 145
LEU A 149
 None
 1.08A 4rs0A-4jcsA:
undetectable		 4rs0A-4jcsA:
19.15
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.
4WG0_H_CHDH103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		5 / 11 LEU A 168
LEU A 178
LEU A 161
ALA A 145
LEU A 149
 None
 1.21A 4wg0H-4jcsA:
undetectable
4wg0I-4jcsA:
undetectable
4wg0J-4jcsA:
undetectable		 4wg0H-4jcsA:
4.92
4wg0I-4jcsA:
4.92
4wg0J-4jcsA:
4.92
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		5 / 10 GLY A 112
PHE A 130
ALA A 128
ASP A 105
ALA A 103
 None
 1.18A 4wnuD-4jcsA:
undetectable		 4wnuD-4jcsA:
24.36
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.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		4 / 8 ARG A  19
ARG A  31
ASP A  27
PHE A  26
 None
 1.08A 4xqgA-4jcsA:
undetectable		 4xqgA-4jcsA:
22.79
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.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		4 / 8 ARG A  19
ARG A  31
ASP A  27
PHE A  26
 None
 1.09A 4xqgB-4jcsA:
undetectable		 4xqgB-4jcsA:
22.79
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.
5FSA_B_X2NB590_1
(CYP51 VARIANT1)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		5 / 12 GLY A  13
LEU A 115
PHE A  26
ILE A  83
GLY A  86
 None
 1.18A 5fsaB-4jcsA:
undetectable		 5fsaB-4jcsA:
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.
5FSE_C_HQEC1583_1
(UREASE SUBUNIT ALPHA)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		4 / 5 ILE A 195
GLN A 190
ARG A 191
GLU A 189
 None
 1.03A 5fseC-4jcsA:
1.6		 5fseC-4jcsA:
21.21
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.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4jcs ENOYL-COA
HYDRATASE/ISOMERASE
(Cupriavidus
metallidurans) 		5 / 12 SER A 116
LEU A 178
GLY A 144
ALA A 145
LEU A 149
 None
 1.11A 5jvzB-4jcsA:
undetectable		 5jvzB-4jcsA:
19.85