SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '6esq'

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 (%)
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.	1FKP_A_NVPA999_1 (HIV-1 RT, A-CHAIN)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 11	LEU I 284 VAL I 236 TYR I 234 GLY I 262 TYR I 9	None	1.40A	1fkpA-6esqI: undetectable	1fkpA-6esqI: 10.09
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.	1IKW_A_EFZA2000_1 (POL POLYPROTEIN)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 10	LEU I 284 VAL I 236 TYR I 234 GLY I 262 TYR I 9	None	1.45A	1ikwA-6esqI: undetectable	1ikwA-6esqI: 9.89
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.	1LW0_A_NVPA999_1 (HIV-1 REVERSE TRANSCRIPTASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 10	LEU I 284 VAL I 236 TYR I 234 GLY I 262 TYR I 9	None	1.44A	1lw0A-6esqI: undetectable	1lw0A-6esqI: 9.80
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.	1LWC_A_NVPA999_1 (HIV-1 REVERSE TRANSCRIPTASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 11	LEU I 284 VAL I 236 TYR I 234 GLY I 262 TYR I 9	None	1.44A	1lwcA-6esqI: undetectable	1lwcA-6esqI: 9.80
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.	1LWE_A_NVPA999_1 (HIV-1 REVERSE TRANSCRIPTASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	4 / 7	TYR I 234 TYR I 261 GLY I 279 TYR I 9	None	0.96A	1lweA-6esqI: undetectable	1lweA-6esqI: 9.80
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.	1LWF_A_NVPA999_1 (HIV-1 REVERSE TRANSCRIPTASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 9	LEU I 284 VAL I 236 TYR I 234 GLY I 262 TYR I 9	None	1.30A	1lwfA-6esqI: undetectable	1lwfA-6esqI: 9.80
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.	1LWF_A_NVPA999_1 (HIV-1 REVERSE TRANSCRIPTASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 9	LEU I 284 VAL I 236 TYR I 234 GLY I 279 TYR I 9	None	1.45A	1lwfA-6esqI: undetectable	1lwfA-6esqI: 9.80
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.	1S1U_A_NVPA999_1 (REVERSE TRANSCRIPTASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 10	VAL I 236 TYR I 234 TYR I 261 GLY I 279 TYR I 9	None	1.17A	1s1uA-6esqI: undetectable	1s1uA-6esqI: 9.54
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.	1VRT_A_NVPA999_1 (HIV-1 REVERSE TRANSCRIPTASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 9	LEU I 284 VAL I 236 TYR I 234 GLY I 262 TYR I 9	None	1.41A	1vrtA-6esqI: undetectable	1vrtA-6esqI: 9.80
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.	2AVD_A_SAMA501_0 (CATECHOL-O-METHYLTRA NSFERASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 12	GLY I 117 TYR I 298 SER I 297 VAL I 79 ALA I 138	None	1.47A	2avdA-6esqI: undetectable	2avdA-6esqI: undetectable
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.	2BM9_F_SAMF301_0 (CEPHALOSPORIN HYDROXYLASE CMCI)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 12	GLY I 75 LEU I 127 GLY I 120 ALA I 138 ALA I 162	None	1.00A	2bm9F-6esqI: undetectable	2bm9F-6esqI: undetectable
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.	2F16_Y_BO2Y1403_1 (PROTEASOME COMPONENT PRE2 PROTEASOME COMPONENT C5)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	6 / 10	THR I 52 ALA I 56 ALA I 161 ALA I 59 VAL I 95 GLY I 80	None	1.49A	2f16Y-6esqI: undetectable 2f16Z-6esqI: undetectable	2f16Y-6esqI: 15.57 2f16Z-6esqI: 17.59
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.	2GLU_A_SAMA301_0 (YCGJ)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 12	GLY I 80 ALA I 53 THR I 52 THR I 94 ALA I 93	None	1.05A	2gluA-6esqI: undetectable	2gluA-6esqI: undetectable
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.	2HND_A_NVPA999_1 (REVERSE TRANSCRIPTASE/RIBONU CLEASE H)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 10	LEU I 284 VAL I 236 TYR I 234 GLY I 262 TYR I 9	None	1.46A	2hndA-6esqI: undetectable	2hndA-6esqI: 9.70
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.	2HNY_A_NVPA999_1 (REVERSE TRANSCRIPTASE/RIBONU CLEASE H)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 10	LEU I 284 VAL I 236 TYR I 234 GLY I 262 TYR I 9	None	1.44A	2hnyA-6esqI: undetectable	2hnyA-6esqI: 9.58
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.	2NNI_A_MTKA501_1 (CYTOCHROME P450 2C8)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 12	SER I 273 SER I 81 THR I 52 SER I 83 ALA I 87	None	1.27A	2nniA-6esqI: undetectable	2nniA-6esqI: 10.72
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.	2V7B_A_BEZA1529_0 (BENZOATE-COENZYME A LIGASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 9	ALA I 144 ALA I 141 GLY I 140 GLY I 159 ILE I 55	None	1.26A	2v7bA-6esqI: undetectable	2v7bA-6esqI: undetectable
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.	2V7B_B_BEZB1529_0 (BENZOATE-COENZYME A LIGASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 9	ALA I 144 ALA I 141 GLY I 140 GLY I 159 ILE I 55	None	1.25A	2v7bB-6esqI: undetectable	2v7bB-6esqI: undetectable
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.	3BRF_A_SORA2_0 (LIN-12 AND GLP-1 PHENOTYPE PROTEIN 1, ISOFORM A)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	3 / 3	LYS I 35 LYS I 19 VAL I 20	None	0.99A	3brfA-6esqI: undetectable	3brfA-6esqI: undetectable
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.	3ETE_B_H3PB552_1 (GLUTAMATE DEHYDROGENASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	3 / 3	TYR I 154 TYR I 340 ILE I 18	None	0.81A	3eteA-6esqI: undetectable 3eteB-6esqI: undetectable	3eteA-6esqI: 10.84 3eteB-6esqI: 10.84
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.	3IB1_A_IMNA701_1 (LACTOTRANSFERRIN)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	4 / 4	PRO I 90 THR I 91 GLY I 117 THR I 118	None	1.08A	3ib1A-6esqI: undetectable	3ib1A-6esqI: 14.72
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.	3LP1_A_NVPA701_1 (REVERSE TRANSCRIPTASE/RIBONU CLEASE H)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 10	LEU I 284 VAL I 236 TYR I 234 GLY I 262 TYR I 9	None	1.45A	3lp1A-6esqI: undetectable	3lp1A-6esqI: 9.73
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.	3MDR_B_GJZB506_1 (CHOLESTEROL 24-HYDROXYLASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	4 / 6	ILE I 99 ALA I 98 THR I 94 ALA I 53	None	1.02A	3mdrB-6esqI: undetectable	3mdrB-6esqI: 13.39
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.	3MEC_A_65BA561_0 (P66 REVERSE TRANSCRIPTASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 12	VAL I 236 TYR I 234 TYR I 261 GLY I 279 TYR I 9	None	1.18A	3mecA-6esqI: undetectable	3mecA-6esqI: undetectable
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.	3MED_A_65BA561_0 (P51 REVERSE TRANSCRIPTASE P66 REVERSE TRANSCRIPTASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 12	VAL I 236 TYR I 234 TYR I 261 GLY I 279 TYR I 9	None	1.23A	3medA-6esqI: undetectable 3medB-6esqI: undetectable	3medA-6esqI: undetectable 3medB-6esqI: undetectable
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.	3MG0_K_BO2K1402_1 (PROTEASOME COMPONENT PRE2 PROTEASOME COMPONENT C5)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 11	ALA I 56 ALA I 59 VAL I 95 GLY I 80 SER I 83	None	0.95A	3mg0K-6esqI: undetectable 3mg0L-6esqI: undetectable	3mg0K-6esqI: 15.57 3mg0L-6esqI: 17.59
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.	3NRR_A_D16A520_1 (DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 12	THR I 325 ILE I 13 PRO I 14 SER I 44 THR I 118	None	1.21A	3nrrA-6esqI: undetectable	3nrrA-6esqI: 10.78
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.	3NRR_B_D16B520_1 (DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 12	THR I 325 ILE I 13 PRO I 14 SER I 44 THR I 118	None	1.18A	3nrrB-6esqI: undetectable	3nrrB-6esqI: 10.78
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.	3O7W_A_SAMA801_1 (LEUCINE CARBOXYL METHYLTRANSFERASE 1)	6esq	PFAM DUF35 (Methanothermococ cus thermolithotroph icus)	3 / 3	LYS E 124 ARG E 108 ASP E 93	None	1.06A	3o7wA-6esqE: undetectable	3o7wA-6esqE: undetectable
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.	3QIP_A_NVPA561_1 (REVERSE HIV-1 REVERSE TRANSCRIPTASE P66)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 10	LEU I 284 VAL I 236 TYR I 234 GLY I 262 TYR I 9	None	1.48A	3qipA-6esqI: undetectable	3qipA-6esqI: 9.80
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.	4AE1_A_NCAA1536_0 (DIPHTHERIA TOXIN)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	4 / 6	GLY I 10 TYR I 12 ALA I 63 GLU I 58	None	0.89A	4ae1A-6esqI: undetectable	4ae1A-6esqI: undetectable
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.	4AZS_A_SAMA1475_0 (METHYLTRANSFERASE WBDD)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 12	GLY I 279 ALA I 275 ILE I 283 LEU I 263 VAL I 236	None	1.22A	4azsA-6esqI: undetectable	4azsA-6esqI: undetectable
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.	4AZT_A_SAMA1472_0 (METHYLTRANSFERASE WBDD)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	6 / 12	GLY I 279 ALA I 275 ILE I 283 LEU I 263 VAL I 236 ILE I 293	None	1.29A	4aztA-6esqI: undetectable	4aztA-6esqI: undetectable
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.	4AZW_A_SAMA1451_0 (WBDD)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 12	GLY I 279 ALA I 275 ILE I 283 LEU I 263 VAL I 236	None	1.21A	4azwA-6esqI: undetectable	4azwA-6esqI: undetectable
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.	4IKL_A_SUZA201_1 (TRANSTHYRETIN)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	4 / 7	ALA I 275 LEU I 264 THR I 271 SER I 157	None	1.10A	4iklA-6esqI: undetectable 4iklB-6esqI: undetectable	4iklA-6esqI: 18.55 4iklB-6esqI: 18.55
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.	4L78_A_ACTA1327_0 (PHOSPHORIBOSYLFORMYL GLYCINAMIDINE SYNTHASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	4 / 4	VAL I 57 THR I 54 GLU I 58 GLU I 50	None	1.33A	4l78A-6esqI: undetectable	4l78A-6esqI: undetectable
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.	4TWD_G_377G401_1 (CYS-LOOP LIGAND-GATED ION CHANNEL)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	4 / 6	ARG I 17 GLU I 50 TYR I 12 LEU I 328	None	1.36A	4twdF-6esqI: undetectable 4twdG-6esqI: undetectable	4twdF-6esqI: 13.68 4twdG-6esqI: 13.68
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.	4UW0_A_SAMA1506_0 (WBDD)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	6 / 12	GLY I 279 ALA I 275 ILE I 283 LEU I 263 VAL I 236 ILE I 293	None	1.38A	4uw0A-6esqI: undetectable	4uw0A-6esqI: undetectable
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.	5B6I_A_ADNA302_1 (FLUORINASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	4 / 7	ASP I 109 THR I 91 TYR I 86 PRO I 85	None	1.05A	5b6iA-6esqI: undetectable	5b6iA-6esqI: 12.62
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.	5INZ_D_DVAD15_0 (THETA DEFENSIN-2, D-PEPTIDE THETA DEFENSIN-2, L-PEPTIDE)	6esq	PFAM DUF35 (Methanothermococ cus thermolithotroph icus)	3 / 3	GLY E 41 CYH E 37 CYH E 34	None ZN E 201 (-2.5A) ZN E 201 (-2.2A)	0.89A	5inzB-6esqE: undetectable	5inzB-6esqE: undetectable
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_D_SAMD501_0 (RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE E)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 10	GLY I 274 GLY I 160 VAL I 79 LEU I 110 ALA I 116	None	1.05A	5o96C-6esqI: undetectable 5o96D-6esqI: undetectable	5o96C-6esqI: undetectable 5o96D-6esqI: undetectable
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_F_SAMF501_0 (RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE E)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 10	GLY I 274 GLY I 160 VAL I 79 LEU I 110 ALA I 116	None	1.09A	5o96E-6esqI: undetectable 5o96F-6esqI: undetectable	5o96E-6esqI: undetectable 5o96F-6esqI: undetectable
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_F_D16F402_1 (THYMIDYLATE SYNTHASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	4 / 8	ARG I 17 ILE I 55 LEU I 278 GLY I 274	None	0.85A	5x5qF-6esqI: undetectable	5x5qF-6esqI: 13.84
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.	6B3A_A_SAMA701_0 (APRA METHYLTRANSFERASE 1)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 12	PHE I 176 MET I 137 GLY I 8 ALA I 67 ILE I 139	None	1.17A	6b3aA-6esqI: undetectable	6b3aA-6esqI: undetectable
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.	6B3B_A_SAMA701_0 (APRA METHYLTRANSFERASE 1)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 12	PHE I 176 MET I 137 GLY I 8 ALA I 67 ILE I 139	None	1.18A	6b3bA-6esqI: undetectable	6b3bA-6esqI: undetectable
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.	6BSI_A_EFZA601_1 (REVERSE TRANSCRIPTASE P66 SUBUNIT)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 10	LEU I 284 VAL I 236 TYR I 234 GLY I 262 TYR I 9	None	1.37A	6bsiA-6esqI: undetectable	6bsiA-6esqI: 23.60
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.	6BSJ_A_EFZA601_1 (REVERSE TRANSCRIPTASE P66 SUBUNIT)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	5 / 10	LEU I 284 VAL I 236 TYR I 234 GLY I 262 TYR I 9	None	1.43A	6bsjA-6esqI: undetectable	6bsjA-6esqI: 23.60
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.	6MKE_D_FK5D201_0 (PEPTIDYLPROLYL ISOMERASE)	6esq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Methanothermococ cus thermolithotroph icus)	4 / 4	ASP I 327 ILE I 13 PRO I 14 LEU I 328	None	1.40A	6mkeA-6esqI: undetectable	6mkeA-6esqI: 20.24

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1FKP_A_NVPA999_1","HIV-1 RT, A-CHAIN","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"LEU I 284;VAL I 236;TYR I 234;GLY I 262;TYR I   9","None","1.40A","1fkpA-6esqI:undetectable","1fkpA-6esqI:10.09"],["1IKW_A_EFZA2000_1","POL POLYPROTEIN","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"LEU I 284;VAL I 236;TYR I 234;GLY I 262;TYR I   9","None","1.45A","1ikwA-6esqI:undetectable","1ikwA-6esqI:9.89"],["1LW0_A_NVPA999_1","HIV-1 REVERSE TRANSCRIPTASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"LEU I 284;VAL I 236;TYR I 234;GLY I 262;TYR I   9","None","1.44A","1lw0A-6esqI:undetectable","1lw0A-6esqI:9.80"],["1LWC_A_NVPA999_1","HIV-1 REVERSE TRANSCRIPTASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"LEU I 284;VAL I 236;TYR I 234;GLY I 262;TYR I   9","None","1.44A","1lwcA-6esqI:undetectable","1lwcA-6esqI:9.80"],["1LWE_A_NVPA999_1","HIV-1 REVERSE TRANSCRIPTASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",4,"TYR I 234;TYR I 261;GLY I 279;TYR I   9","None","0.96A","1lweA-6esqI:undetectable","1lweA-6esqI:9.80"],["1LWF_A_NVPA999_1","HIV-1 REVERSE TRANSCRIPTASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"LEU I 284;VAL I 236;TYR I 234;GLY I 262;TYR I   9","None","1.30A","1lwfA-6esqI:undetectable","1lwfA-6esqI:9.80"],["1LWF_A_NVPA999_1","HIV-1 REVERSE TRANSCRIPTASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"LEU I 284;VAL I 236;TYR I 234;GLY I 279;TYR I   9","None","1.45A","1lwfA-6esqI:undetectable","1lwfA-6esqI:9.80"],["1S1U_A_NVPA999_1","REVERSE TRANSCRIPTASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"VAL I 236;TYR I 234;TYR I 261;GLY I 279;TYR I   9","None","1.17A","1s1uA-6esqI:undetectable","1s1uA-6esqI:9.54"],["1VRT_A_NVPA999_1","HIV-1 REVERSE TRANSCRIPTASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"LEU I 284;VAL I 236;TYR I 234;GLY I 262;TYR I   9","None","1.41A","1vrtA-6esqI:undetectable","1vrtA-6esqI:9.80"],["2AVD_A_SAMA501_0","CATECHOL-O-METHYLTRANSFERASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"GLY I 117;TYR I 298;SER I 297;VAL I  79;ALA I 138","None","1.47A","2avdA-6esqI:undetectable","2avdA-6esqI:undetectable"],["2BM9_F_SAMF301_0","CEPHALOSPORIN HYDROXYLASE CMCI","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"GLY I  75;LEU I 127;GLY I 120;ALA I 138;ALA I 162","None","1.00A","2bm9F-6esqI:undetectable","2bm9F-6esqI:undetectable"],["2F16_Y_BO2Y1403_1","PROTEASOME COMPONENT PRE2;PROTEASOME COMPONENT C5","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",6,"THR I  52;ALA I  56;ALA I 161;ALA I  59;VAL I  95;GLY I  80","None","1.49A","2f16Y-6esqI:undetectable;2f16Z-6esqI:undetectable","2f16Y-6esqI:15.57;2f16Z-6esqI:17.59"],["2GLU_A_SAMA301_0","YCGJ","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"GLY I  80;ALA I  53;THR I  52;THR I  94;ALA I  93","None","1.05A","2gluA-6esqI:undetectable","2gluA-6esqI:undetectable"],["2HND_A_NVPA999_1","REVERSE TRANSCRIPTASE\/RIBONUCLEASE H","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"LEU I 284;VAL I 236;TYR I 234;GLY I 262;TYR I   9","None","1.46A","2hndA-6esqI:undetectable","2hndA-6esqI:9.70"],["2HNY_A_NVPA999_1","REVERSE TRANSCRIPTASE\/RIBONUCLEASE H","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"LEU I 284;VAL I 236;TYR I 234;GLY I 262;TYR I   9","None","1.44A","2hnyA-6esqI:undetectable","2hnyA-6esqI:9.58"],["2NNI_A_MTKA501_1","CYTOCHROME P450 2C8","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"SER I 273;SER I  81;THR I  52;SER I  83;ALA I  87","None","1.27A","2nniA-6esqI:undetectable","2nniA-6esqI:10.72"],["2V7B_A_BEZA1529_0","BENZOATE-COENZYME A LIGASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"ALA I 144;ALA I 141;GLY I 140;GLY I 159;ILE I  55","None","1.26A","2v7bA-6esqI:undetectable","2v7bA-6esqI:undetectable"],["2V7B_B_BEZB1529_0","BENZOATE-COENZYME A LIGASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"ALA I 144;ALA I 141;GLY I 140;GLY I 159;ILE I  55","None","1.25A","2v7bB-6esqI:undetectable","2v7bB-6esqI:undetectable"],["3BRF_A_SORA2_0","LIN-12 AND GLP-1 PHENOTYPE PROTEIN 1, ISOFORM A","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",3,"LYS I  35;LYS I  19;VAL I  20","None","0.99A","3brfA-6esqI:undetectable","3brfA-6esqI:undetectable"],["3ETE_B_H3PB552_1","GLUTAMATE DEHYDROGENASE;GLUTAMATE DEHYDROGENASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",3,"TYR I 154;TYR I 340;ILE I  18","None","0.81A","3eteA-6esqI:undetectable;3eteB-6esqI:undetectable","3eteA-6esqI:10.84;3eteB-6esqI:10.84"],["3IB1_A_IMNA701_1","LACTOTRANSFERRIN","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",4,"PRO I  90;THR I  91;GLY I 117;THR I 118","None","1.08A","3ib1A-6esqI:undetectable","3ib1A-6esqI:14.72"],["3LP1_A_NVPA701_1","REVERSE TRANSCRIPTASE\/RIBONUCLEASE H","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"LEU I 284;VAL I 236;TYR I 234;GLY I 262;TYR I   9","None","1.45A","3lp1A-6esqI:undetectable","3lp1A-6esqI:9.73"],["3MDR_B_GJZB506_1","CHOLESTEROL 24-HYDROXYLASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",4,"ILE I  99;ALA I  98;THR I  94;ALA I  53","None","1.02A","3mdrB-6esqI:undetectable","3mdrB-6esqI:13.39"],["3MEC_A_65BA561_0","P66 REVERSE TRANSCRIPTASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"VAL I 236;TYR I 234;TYR I 261;GLY I 279;TYR I   9","None","1.18A","3mecA-6esqI:undetectable","3mecA-6esqI:undetectable"],["3MED_A_65BA561_0","P51 REVERSE TRANSCRIPTASE;P66 REVERSE TRANSCRIPTASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"VAL I 236;TYR I 234;TYR I 261;GLY I 279;TYR I   9","None","1.23A","3medA-6esqI:undetectable;3medB-6esqI:undetectable","3medA-6esqI:undetectable;3medB-6esqI:undetectable"],["3MG0_K_BO2K1402_1","PROTEASOME COMPONENT PRE2;PROTEASOME COMPONENT C5","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"ALA I  56;ALA I  59;VAL I  95;GLY I  80;SER I  83","None","0.95A","3mg0K-6esqI:undetectable;3mg0L-6esqI:undetectable","3mg0K-6esqI:15.57;3mg0L-6esqI:17.59"],["3NRR_A_D16A520_1","DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"THR I 325;ILE I  13;PRO I  14;SER I  44;THR I 118","None","1.21A","3nrrA-6esqI:undetectable","3nrrA-6esqI:10.78"],["3NRR_B_D16B520_1","DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"THR I 325;ILE I  13;PRO I  14;SER I  44;THR I 118","None","1.18A","3nrrB-6esqI:undetectable","3nrrB-6esqI:10.78"],["3O7W_A_SAMA801_1","LEUCINE CARBOXYL METHYLTRANSFERASE 1","6esq","PFAM DUF35","Methanothermococcus thermolithotrophicus",3,"LYS E 124;ARG E 108;ASP E  93","None","1.06A","3o7wA-6esqE:undetectable","3o7wA-6esqE:undetectable"],["3QIP_A_NVPA561_1","REVERSE HIV-1 REVERSE TRANSCRIPTASE P66","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"LEU I 284;VAL I 236;TYR I 234;GLY I 262;TYR I   9","None","1.48A","3qipA-6esqI:undetectable","3qipA-6esqI:9.80"],["4AE1_A_NCAA1536_0","DIPHTHERIA TOXIN","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",4,"GLY I  10;TYR I  12;ALA I  63;GLU I  58","None","0.89A","4ae1A-6esqI:undetectable","4ae1A-6esqI:undetectable"],["4AZS_A_SAMA1475_0","METHYLTRANSFERASE WBDD","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"GLY I 279;ALA I 275;ILE I 283;LEU I 263;VAL I 236","None","1.22A","4azsA-6esqI:undetectable","4azsA-6esqI:undetectable"],["4AZT_A_SAMA1472_0","METHYLTRANSFERASE WBDD","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",6,"GLY I 279;ALA I 275;ILE I 283;LEU I 263;VAL I 236;ILE I 293","None","1.29A","4aztA-6esqI:undetectable","4aztA-6esqI:undetectable"],["4AZW_A_SAMA1451_0","WBDD","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"GLY I 279;ALA I 275;ILE I 283;LEU I 263;VAL I 236","None","1.21A","4azwA-6esqI:undetectable","4azwA-6esqI:undetectable"],["4IKL_A_SUZA201_1","TRANSTHYRETIN;TRANSTHYRETIN","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",4,"ALA I 275;LEU I 264;THR I 271;SER I 157","None","1.10A","4iklA-6esqI:undetectable;4iklB-6esqI:undetectable","4iklA-6esqI:18.55;4iklB-6esqI:18.55"],["4L78_A_ACTA1327_0","PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",4,"VAL I  57;THR I  54;GLU I  58;GLU I  50","None","1.33A","4l78A-6esqI:undetectable","4l78A-6esqI:undetectable"],["4TWD_G_377G401_1","CYS-LOOP LIGAND-GATED ION CHANNEL;CYS-LOOP LIGAND-GATED ION CHANNEL","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",4,"ARG I  17;GLU I  50;TYR I  12;LEU I 328","None","1.36A","4twdF-6esqI:undetectable;4twdG-6esqI:undetectable","4twdF-6esqI:13.68;4twdG-6esqI:13.68"],["4UW0_A_SAMA1506_0","WBDD","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",6,"GLY I 279;ALA I 275;ILE I 283;LEU I 263;VAL I 236;ILE I 293","None","1.38A","4uw0A-6esqI:undetectable","4uw0A-6esqI:undetectable"],["5B6I_A_ADNA302_1","FLUORINASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",4,"ASP I 109;THR I  91;TYR I  86;PRO I  85","None","1.05A","5b6iA-6esqI:undetectable","5b6iA-6esqI:12.62"],["5INZ_D_DVAD15_0","THETA DEFENSIN-2, D-PEPTIDE;THETA DEFENSIN-2, L-PEPTIDE","6esq","PFAM DUF35","Methanothermococcus thermolithotrophicus",3,"GLY E  41;CYH E  37;CYH E  34","None; ZN E 201 (-2.5A); ZN E 201 (-2.2A)","0.89A","5inzB-6esqE:undetectable","5inzB-6esqE:undetectable"],["5O96_D_SAMD501_0","RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE E","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"GLY I 274;GLY I 160;VAL I  79;LEU I 110;ALA I 116","None","1.05A","5o96C-6esqI:undetectable;5o96D-6esqI:undetectable","5o96C-6esqI:undetectable;5o96D-6esqI:undetectable"],["5O96_F_SAMF501_0","RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE E","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"GLY I 274;GLY I 160;VAL I  79;LEU I 110;ALA I 116","None","1.09A","5o96E-6esqI:undetectable;5o96F-6esqI:undetectable","5o96E-6esqI:undetectable;5o96F-6esqI:undetectable"],["5X5Q_F_D16F402_1","THYMIDYLATE SYNTHASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",4,"ARG I  17;ILE I  55;LEU I 278;GLY I 274","None","0.85A","5x5qF-6esqI:undetectable","5x5qF-6esqI:13.84"],["6B3A_A_SAMA701_0","APRA METHYLTRANSFERASE 1","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"PHE I 176;MET I 137;GLY I   8;ALA I  67;ILE I 139","None","1.17A","6b3aA-6esqI:undetectable","6b3aA-6esqI:undetectable"],["6B3B_A_SAMA701_0","APRA METHYLTRANSFERASE 1","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"PHE I 176;MET I 137;GLY I   8;ALA I  67;ILE I 139","None","1.18A","6b3bA-6esqI:undetectable","6b3bA-6esqI:undetectable"],["6BSI_A_EFZA601_1","REVERSE TRANSCRIPTASE P66 SUBUNIT","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"LEU I 284;VAL I 236;TYR I 234;GLY I 262;TYR I   9","None","1.37A","6bsiA-6esqI:undetectable","6bsiA-6esqI:23.60"],["6BSJ_A_EFZA601_1","REVERSE TRANSCRIPTASE P66 SUBUNIT","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",5,"LEU I 284;VAL I 236;TYR I 234;GLY I 262;TYR I   9","None","1.43A","6bsjA-6esqI:undetectable","6bsjA-6esqI:23.60"],["6MKE_D_FK5D201_0","PEPTIDYLPROLYL ISOMERASE","6esq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Methanothermococcus thermolithotrophicus",4,"ASP I 327;ILE I  13;PRO I  14;LEU I 328","None","1.40A","6mkeA-6esqI:undetectable","6mkeA-6esqI:20.24"]]