SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2jek'

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.
2WQ5_A_MIYA1120_1
(PHOSPHOLIPASE A2,
ACIDIC)		 2jek RV1873
(Mycobacterium
tuberculosis) 		4 / 7 LEU A 111
GLY A  58
ARG A  12
PHE A 122
 None
 0.91A 2wq5A-2jekA:
undetectable		 2wq5A-2jekA:
18.30
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.
2ZXW_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jek RV1873
(Mycobacterium
tuberculosis) 		4 / 7 LEU A 125
PHE A 122
LEU A 105
PHE A  97
 None
 0.99A 2zxwC-2jekA:
undetectable
2zxwJ-2jekA:
undetectable		 2zxwC-2jekA:
19.92
2zxwJ-2jekA:
15.79
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.
3WG7_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2jek RV1873
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 125
PHE A 122
LEU A 105
PHE A  97
 None
 0.97A 3wg7C-2jekA:
undetectable
3wg7J-2jekA:
undetectable		 3wg7C-2jekA:
19.92
3wg7J-2jekA:
15.79
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.
4C9K_A_CAMA424_0
(CYTOCHROME P450)		 2jek RV1873
(Mycobacterium
tuberculosis) 		5 / 9 THR A 116
THR A  82
LEU A  69
LEU A  78
GLY A  75
 None
 1.41A 4c9kA-2jekA:
undetectable		 4c9kA-2jekA:
18.62
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.
5IY5_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2jek RV1873
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 125
PHE A 122
LEU A 105
PHE A  97
 None
 1.03A 5iy5P-2jekA:
undetectable
5iy5W-2jekA:
undetectable		 5iy5P-2jekA:
19.12
5iy5W-2jekA:
15.94
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.
5JSD_A_1GNA615_1
(PHIAB6 TAILSPIKE)		 2jek RV1873
(Mycobacterium
tuberculosis) 		3 / 3 TYR A  68
TYR A  21
GLN A  17
 None
 1.06A 5jsdA-2jekA:
undetectable
5jsdB-2jekA:
undetectable		 5jsdA-2jekA:
10.53
5jsdB-2jekA:
10.53
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.
5JSD_B_1GNB606_1
(PHIAB6 TAILSPIKE)		 2jek RV1873
(Mycobacterium
tuberculosis) 		3 / 3 TYR A  68
TYR A  21
GLN A  17
 None
 1.07A 5jsdB-2jekA:
undetectable
5jsdC-2jekA:
undetectable		 5jsdB-2jekA:
10.53
5jsdC-2jekA:
10.53
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.
5W97_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2jek RV1873
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 125
PHE A 122
LEU A 105
PHE A  97
 None
 1.11A 5w97C-2jekA:
undetectable
5w97J-2jekA:
undetectable		 5w97C-2jekA:
19.92
5w97J-2jekA:
15.79
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.
5XDX_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		 2jek RV1873
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 125
PHE A 122
LEU A 105
PHE A  97
 None
 0.99A 5xdxC-2jekA:
undetectable
5xdxJ-2jekA:
undetectable		 5xdxC-2jekA:
19.12
5xdxJ-2jekA:
15.79
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.
5XDX_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		 2jek RV1873
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 125
PHE A 122
LEU A 105
PHE A  97
 None
 1.04A 5xdxP-2jekA:
undetectable
5xdxW-2jekA:
undetectable		 5xdxP-2jekA:
19.12
5xdxW-2jekA:
15.79