SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4jjt'

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)

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	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.	1FKO_A_EFZA999_1 (HIV-1 RT, A-CHAIN)	4jjt	ENOYL-COA HYDRATASE (Mycobacterium tuberculosis)	5 / 10	LEU A 19 ASN A 95 VAL A 60 GLY A 96 LEU A 54	None	1.24A	1fkoA-4jjtA: undetectable	1fkoA-4jjtA: 18.10
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.	1MX1_F_THAF6_1 (LIVER CARBOXYLESTERASE I)	4jjt	ENOYL-COA HYDRATASE (Mycobacterium tuberculosis)	5 / 12	GLY A 102 GLY A 101 LEU A 135 LEU A 107 PHE A 37	None GOL A 301 ( 4.3A) None None None	1.08A	1mx1F-4jjtA: undetectable	1mx1F-4jjtA: 19.74
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.	1YMX_B_CFXB1002_2 (BETA-LACTAMASE CTX-M-9)	4jjt	ENOYL-COA HYDRATASE (Mycobacterium tuberculosis)	4 / 5	CYH A 62 PRO A 59 THR A 123 THR A 100	None	1.12A	1ymxB-4jjtA: undetectable	1ymxB-4jjtA: 23.10
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.	2OTH_A_NIMA300_1 (PHOSPHOLIPASE A2 VRV-PL-VIIIA)	4jjt	ENOYL-COA HYDRATASE (Mycobacterium tuberculosis)	4 / 5	LEU A 168 ALA A 114 ILE A 94 LYS A 142	None	1.00A	2othA-4jjtA: undetectable	2othA-4jjtA: 15.62
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.	3HS6_B_EPAB1_1 (PROSTAGLANDIN G/H SYNTHASE 2)	4jjt	ENOYL-COA HYDRATASE (Mycobacterium tuberculosis)	5 / 12	ASN A 95 ILE A 94 GLY A 64 ALA A 27 GLY A 56	None	0.81A	3hs6B-4jjtA: undetectable	3hs6B-4jjtA: 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.	4E1G_A_LNLA701_1 (PROSTAGLANDIN G/H SYNTHASE 2)	4jjt	ENOYL-COA HYDRATASE (Mycobacterium tuberculosis)	5 / 12	ASN A 95 ILE A 94 GLY A 64 ALA A 27 GLY A 56	None	0.87A	4e1gA-4jjtA: undetectable	4e1gA-4jjtA: 19.10
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.	4EAH_F_ACTF402_0 (ACTIN, ALPHA SKELETAL MUSCLE)	4jjt	ENOYL-COA HYDRATASE (Mycobacterium tuberculosis)	3 / 3	PHE A 36 ASP A 34 ARG A 82	None	0.81A	4eahF-4jjtA: 1.4	4eahF-4jjtA: 18.85
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.	4EAH_G_ACTG401_0 (ACTIN, ALPHA SKELETAL MUSCLE)	4jjt	ENOYL-COA HYDRATASE (Mycobacterium tuberculosis)	3 / 3	PHE A 36 ASP A 34 ARG A 82	None	0.80A	4eahG-4jjtA: undetectable	4eahG-4jjtA: 18.85
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.	4EIX_A_NIMA201_1 (PHOSPHOLIPASE A2 VRV-PL-VIIIA)	4jjt	ENOYL-COA HYDRATASE (Mycobacterium tuberculosis)	4 / 4	LEU A 168 ALA A 114 ILE A 94 LYS A 142	None	1.07A	4eixA-4jjtA: undetectable	4eixA-4jjtA: 15.62
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.	4YHA_A_MZMA303_1 (ALPHA-CARBONIC ANHYDRASE)	4jjt	ENOYL-COA HYDRATASE (Mycobacterium tuberculosis)	5 / 12	ASP A 110 VAL A 90 VAL A 52 LEU A 40 ALA A 41	None	1.39A	4yhaA-4jjtA: undetectable	4yhaA-4jjtA: 19.19
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)	4jjt	ENOYL-COA HYDRATASE (Mycobacterium tuberculosis)	5 / 12	GLU A 171 VAL A 172 LEU A 107 ALA A 163 GLY A 96	None	1.06A	5syeB-4jjtA: undetectable	5syeB-4jjtA: 19.40
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.	6BEO_A_DHIA4_0 ((DPR)PY(DHI)PKDL(DGN ))	4jjt	ENOYL-COA HYDRATASE (Mycobacterium tuberculosis)	3 / 3	TYR A 108 PRO A 84 LEU A 40	None	0.95A	6beoA-4jjtA: undetectable	6beoA-4jjtA: 6.25
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.	6CNJ_D_NCTD402_1 (NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-4 NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT BETA-2)	4jjt	ENOYL-COA HYDRATASE (Mycobacterium tuberculosis)	4 / 8	TYR A 108 TRP A 133 THR A 132 LEU A 65	None GOL A 301 (-4.3A) GOL A 301 (-2.8A) GOL A 301 (-3.9A)	1.35A	6cnjD-4jjtA: undetectable 6cnjE-4jjtA: undetectable	6cnjD-4jjtA: 15.35 6cnjE-4jjtA: 14.23

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1FKO_A_EFZA999_1","HIV-1 RT, A-CHAIN","4jjt","ENOYL-COA HYDRATASE","Mycobacterium tuberculosis",5,"LEU A  19;ASN A  95;VAL A  60;GLY A  96;LEU A  54","None","1.24A","1fkoA-4jjtA:undetectable","1fkoA-4jjtA:18.10"],["1MX1_F_THAF6_1","LIVER CARBOXYLESTERASE I","4jjt","ENOYL-COA HYDRATASE","Mycobacterium tuberculosis",5,"GLY A 102;GLY A 101;LEU A 135;LEU A 107;PHE A  37","None;GOL A 301 ( 4.3A);None;None;None","1.08A","1mx1F-4jjtA:undetectable","1mx1F-4jjtA:19.74"],["1YMX_B_CFXB1002_2","BETA-LACTAMASE CTX-M-9","4jjt","ENOYL-COA HYDRATASE","Mycobacterium tuberculosis",4,"CYH A  62;PRO A  59;THR A 123;THR A 100","None","1.12A","1ymxB-4jjtA:undetectable","1ymxB-4jjtA:23.10"],["2OTH_A_NIMA300_1","PHOSPHOLIPASE A2 VRV-PL-VIIIA","4jjt","ENOYL-COA HYDRATASE","Mycobacterium tuberculosis",4,"LEU A 168;ALA A 114;ILE A  94;LYS A 142","None","1.00A","2othA-4jjtA:undetectable","2othA-4jjtA:15.62"],["3HS6_B_EPAB1_1","PROSTAGLANDIN G\/H SYNTHASE 2","4jjt","ENOYL-COA HYDRATASE","Mycobacterium tuberculosis",5,"ASN A  95;ILE A  94;GLY A  64;ALA A  27;GLY A  56","None","0.81A","3hs6B-4jjtA:undetectable","3hs6B-4jjtA:19.56"],["4E1G_A_LNLA701_1","PROSTAGLANDIN G\/H SYNTHASE 2","4jjt","ENOYL-COA HYDRATASE","Mycobacterium tuberculosis",5,"ASN A  95;ILE A  94;GLY A  64;ALA A  27;GLY A  56","None","0.87A","4e1gA-4jjtA:undetectable","4e1gA-4jjtA:19.10"],["4EAH_F_ACTF402_0","ACTIN, ALPHA SKELETAL MUSCLE","4jjt","ENOYL-COA HYDRATASE","Mycobacterium tuberculosis",3,"PHE A  36;ASP A  34;ARG A  82","None","0.81A","4eahF-4jjtA:1.4","4eahF-4jjtA:18.85"],["4EAH_G_ACTG401_0","ACTIN, ALPHA SKELETAL MUSCLE","4jjt","ENOYL-COA HYDRATASE","Mycobacterium tuberculosis",3,"PHE A  36;ASP A  34;ARG A  82","None","0.80A","4eahG-4jjtA:undetectable","4eahG-4jjtA:18.85"],["4EIX_A_NIMA201_1","PHOSPHOLIPASE A2 VRV-PL-VIIIA","4jjt","ENOYL-COA HYDRATASE","Mycobacterium tuberculosis",4,"LEU A 168;ALA A 114;ILE A  94;LYS A 142","None","1.07A","4eixA-4jjtA:undetectable","4eixA-4jjtA:15.62"],["4YHA_A_MZMA303_1","ALPHA-CARBONIC ANHYDRASE","4jjt","ENOYL-COA HYDRATASE","Mycobacterium tuberculosis",5,"ASP A 110;VAL A  90;VAL A  52;LEU A  40;ALA A  41","None","1.39A","4yhaA-4jjtA:undetectable","4yhaA-4jjtA:19.19"],["5SYE_B_TA1B502_1","TUBULIN BETA CHAIN","4jjt","ENOYL-COA HYDRATASE","Mycobacterium tuberculosis",5,"GLU A 171;VAL A 172;LEU A 107;ALA A 163;GLY A  96","None","1.06A","5syeB-4jjtA:undetectable","5syeB-4jjtA:19.40"],["6BEO_A_DHIA4_0","(DPR)PY(DHI)PKDL(DGN)","4jjt","ENOYL-COA HYDRATASE","Mycobacterium tuberculosis",3,"TYR A 108;PRO A  84;LEU A  40","None","0.95A","6beoA-4jjtA:undetectable","6beoA-4jjtA:6.25"],["6CNJ_D_NCTD402_1","NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-4;NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT BETA-2","4jjt","ENOYL-COA HYDRATASE","Mycobacterium tuberculosis",4,"TYR A 108;TRP A 133;THR A 132;LEU A  65","None;GOL A 301 (-4.3A);GOL A 301 (-2.8A);GOL A 301 (-3.9A)","1.35A","6cnjD-4jjtA:undetectable;6cnjE-4jjtA:undetectable","6cnjD-4jjtA:15.35;6cnjE-4jjtA:14.23"]]