SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1ru3'

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.	1CD2_A_FOLA307_1 (DIHYDROFOLATE REDUCTASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	3 / 3	GLU A 482 ILE A 483 ARG A 491	None	0.84A	1cd2A-1ru3A: 0.1	1cd2A-1ru3A: 14.42
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.	1QW6_A_H4BA901_1 (NITRIC-OXIDE SYNTHASE, BRAIN)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	3 / 3	ARG A 312 VAL A 152 TRP A 154	None	1.05A	1qw6A-1ru3A: undetectable	1qw6A-1ru3A: 21.36
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.	1QWC_A_H4BA901_1 (NITRIC-OXIDE SYNTHASE, BRAIN)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	3 / 3	ARG A 312 VAL A 152 TRP A 154	None	1.04A	1qwcA-1ru3A: undetectable	1qwcA-1ru3A: 21.36
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.	1SG9_A_SAMA301_0 (HEMK PROTEIN)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 12	PRO A 59 GLY A 137 ILE A 130 VAL A 218 PHE A 215	None	1.20A	1sg9A-1ru3A: 3.7	1sg9A-1ru3A: 18.72
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.	1UDT_A_VIAA1000_1 (CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 12	TYR A 543 ASN A 546 ALA A 541 MET A 398 GLN A 399	None	1.28A	1udtA-1ru3A: undetectable	1udtA-1ru3A: 18.65
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.	1VAG_A_H4BA901_1 (NITRIC-OXIDE SYNTHASE, BRAIN)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	3 / 3	ARG A 312 VAL A 152 TRP A 154	None	1.04A	1vagA-1ru3A: undetectable	1vagA-1ru3A: 21.36
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.	1X7P_A_SAMA301_0 (RRNA METHYLTRANSFERASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 11	GLY A 106 GLY A 271 ILE A 116 ALA A 32 ALA A 35	None	1.00A	1x7pA-1ru3A: undetectable 1x7pB-1ru3A: undetectable	1x7pA-1ru3A: 17.89 1x7pB-1ru3A: 17.89
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.	1YA3_B_STRB2001_2 (MINERALOCORTICOID RECEPTOR)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	3 / 3	LEU A 122 LEU A 42 MET A 82	None	0.54A	1ya3B-1ru3A: undetectable	1ya3B-1ru3A: 15.95
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.	1ZEA_A_DHIA6_0 (MONOCLONAL ANTI-CHOLERA TOXIN IGG1 KAPPA ANTIBODY, H CHAIN MONOCLONAL ANTI-CHOLERA TOXIN IGG1 KAPPA ANTIBODY, L CHAIN SHORT SYNTHETIC D-AMINO ACID PEPTIDE D2)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	3 / 3	TRP A 294 ARG A 103 PHE A 99	None	1.36A	1zeaH-1ru3A: 0.0 1zeaL-1ru3A: undetectable	1zeaH-1ru3A: 14.21 1zeaL-1ru3A: 13.78
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.	1ZVI_A_H4BA901_1 (NITRIC-OXIDE SYNTHASE, BRAIN)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	3 / 3	ARG A 312 VAL A 152 TRP A 154	None	1.02A	1zviA-1ru3A: 2.1	1zviA-1ru3A: 21.36
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.	2F16_K_BO2K1402_1 (PROTEASOME COMPONENT PRE2 PROTEASOME COMPONENT C5)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 10	THR A 216 THR A 109 ALA A 32 ALA A 108 ALA A 39	None	1.02A	2f16K-1ru3A: undetectable 2f16L-1ru3A: undetectable	2f16K-1ru3A: 16.12 2f16L-1ru3A: 15.64
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)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 10	THR A 216 THR A 109 ALA A 32 ALA A 108 ALA A 39	None	1.01A	2f16Y-1ru3A: undetectable 2f16Z-1ru3A: undetectable	2f16Y-1ru3A: 16.12 2f16Z-1ru3A: 15.64
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.	2G70_B_SAMB2002_1 (PHENYLETHANOLAMINE N-METHYLTRANSFERASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 7	TYR A 224 GLY A 140 TYR A 210 ASP A 60	None	0.94A	2g70B-1ru3A: 2.6	2g70B-1ru3A: 16.96
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.	2G72_A_SAMA2001_1 (PHENYLETHANOLAMINE N-METHYLTRANSFERASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 6	TYR A 224 TYR A 210 GLY A 140 ASP A 141	None	1.21A	2g72A-1ru3A: 2.5	2g72A-1ru3A: 16.96
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.	2O4N_A_TPVA300_2 (PROTEASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 8	LEU A 447 ILE A 321 GLY A 328 LEU A 451	None	0.67A	2o4nB-1ru3A: undetectable	2o4nB-1ru3A: 8.93
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.	2PRG_A_BRLA1_2 (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	3 / 3	ILE A 627 ILE A 604 LEU A 718	None	0.45A	2prgA-1ru3A: undetectable	2prgA-1ru3A: 17.62
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.	2QHF_A_NCAA493_0 (CHORISMATE SYNTHASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 11	ALA A 606 ILE A 604 MET A 629 ILE A 627 VAL A 638	None None GOL A 967 (-4.8A) None None	1.20A	2qhfA-1ru3A: undetectable	2qhfA-1ru3A: 20.30
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.	2QX4_B_ML1B233_1 (RIBOSYLDIHYDRONICOTI NAMIDE DEHYDROGENASE [QUINONE])	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 7	GLY A 640 THR A 642 PHE A 601 PHE A 631	None	1.17A	2qx4A-1ru3A: undetectable 2qx4B-1ru3A: 3.4	2qx4A-1ru3A: 15.79 2qx4B-1ru3A: 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.	2WUZ_B_TPFB1460_1 (LANOSTEROL 14-ALPHA-DEMETHYLASE , PUTATIVE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 10	MET A 185 PHE A 187 ALA A 221 ALA A 225 VAL A 152	None	1.44A	2wuzB-1ru3A: undetectable	2wuzB-1ru3A: 21.32
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.	3BJW_C_SVRC507_2 (PHOSPHOLIPASE A2)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 6	VAL A 391 VAL A 390 ARG A 357 ARG A 481	None	1.14A	3bjwF-1ru3A: undetectable	3bjwF-1ru3A: 9.85
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.	3KK6_B_CELB1701_2 (PROSTAGLANDIN G/H SYNTHASE 1)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 6	VAL A 218 LEU A 86 ILE A 93 ALA A 113	None	0.84A	3kk6B-1ru3A: undetectable	3kk6B-1ru3A: 22.15
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.	3SI7_C_ACTC4_0 (CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 4	GLY A 419 GLY A 417 THR A 414 LEU A 447	None	0.93A	3si7C-1ru3A: undetectable 3si7D-1ru3A: undetectable	3si7C-1ru3A: 16.94 3si7D-1ru3A: 16.94
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.	3T3C_A_017A201_2 (HIV-1 PROTEASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 10	ALA A 113 VAL A 218 GLY A 106 ALA A 222 VAL A 219	None	1.02A	3t3cB-1ru3A: undetectable	3t3cB-1ru3A: 9.76
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.	3T3R_B_9PLB501_1 (CYTOCHROME P450 2A6)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 9	PHE A 11 PHE A 99 ILE A 273 GLY A 271 PHE A 7	None	1.38A	3t3rB-1ru3A: 0.0	3t3rB-1ru3A: 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.	3VYW_C_SAMC401_0 (MNMC2)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 12	HIS A 723 LEU A 611 GLY A 613 ALA A 603 LEU A 677	None	0.95A	3vywC-1ru3A: 3.3	3vywC-1ru3A: 16.73
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.	3W9T_E_W9TE506_1 (HEMOLYTIC LECTIN CEL-III)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 6	THR A 216 CYH A 189 GLY A 213 ASP A 190	None	1.13A	3w9tE-1ru3A: undetectable	3w9tE-1ru3A: 18.54
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.	4LHM_A_AZZA510_1 (THYMIDINE PHOSPHORYLASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 11	THR A 414 VAL A 391 ILE A 389 PHE A 413 LEU A 447	None	1.49A	4lhmA-1ru3A: 4.0	4lhmA-1ru3A: 22.69
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.	4LL3_A_017A201_1 (PROTEASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 8	ASP A 81 GLY A 57 PRO A 66 VAL A 67 ILE A 68	None GOL A 962 (-3.1A) None None None	1.25A	4ll3A-1ru3A: undetectable	4ll3A-1ru3A: 8.23
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.	4LV9_A_20JA602_1 (NICOTINAMIDE PHOSPHORIBOSYLTRANSF ERASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 7	VAL A 670 ILE A 655 ILE A 650 ALA A 603	None	0.83A	4lv9A-1ru3A: undetectable	4lv9A-1ru3A: 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.	4PBH_A_BEZA401_0 (TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT, PUTATIVE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 12	ILE A 280 THR A 307 LEU A 256 ASP A 178 LEU A 179	None	1.28A	4pbhA-1ru3A: 0.5	4pbhA-1ru3A: 18.61
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.	4QOP_A_HQEA503_1 (CATALASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 9	ILE A 162 PHE A 254 LEU A 256 LEU A 184 ASP A 178	None	1.35A	4qopA-1ru3A: undetectable	4qopA-1ru3A: 20.52
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.	4QOP_B_HQEB503_1 (CATALASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 9	ILE A 162 PHE A 254 LEU A 256 LEU A 184 ASP A 178	None	1.36A	4qopB-1ru3A: undetectable	4qopB-1ru3A: 20.52
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.	4R87_H_SPMH202_1 (SPERMIDINE N1-ACETYLTRANSFERASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 6	ASN A 223 GLU A 117 TYR A 111 GLU A 114	None	1.46A	4r87H-1ru3A: 0.8	4r87H-1ru3A: 13.14
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.	4V1F_B_BQ1B1087_0 (F0F1 ATP SYNTHASE SUBUNIT C)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 8	ALA A 171 ALA A 172 ILE A 175 LEU A 256	None	0.52A	4v1fA-1ru3A: undetectable 4v1fB-1ru3A: undetectable	4v1fA-1ru3A: 8.61 4v1fB-1ru3A: 8.61
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.	4XO7_B_ASDB402_1 (ALDO-KETO REDUCTASE FAMILY 1 MEMBER C2)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 7	TYR A 257 VAL A 255 HIS A 261 LEU A 285	None	1.19A	4xo7B-1ru3A: undetectable	4xo7B-1ru3A: 18.69
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.	4XP9_C_1WEC706_1 (TRANSPORTER)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 4	PHE A 232 ASP A 153 GLY A 148 SER A 514	None	1.30A	4xp9C-1ru3A: undetectable	4xp9C-1ru3A: 22.27
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.	5DWK_C_ACTC207_0 (DIACYLGLYCEROL KINASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	4 / 5	GLU A 117 ALA A 118 GLU A 114 ASN A 223	None	1.07A	5dwkC-1ru3A: 2.7	5dwkC-1ru3A: 10.70
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.	5FVO_A_H4BA760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	3 / 3	ARG A 312 VAL A 152 TRP A 154	None	1.04A	5fvoA-1ru3A: undetectable	5fvoA-1ru3A: 19.70
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.	5KIR_A_RCXA601_2 (PROSTAGLANDIN G/H SYNTHASE 2)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	3 / 3	ARG A 688 ILE A 655 PHE A 660	None	0.69A	5kirA-1ru3A: undetectable	5kirA-1ru3A: 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.	5L5Z_K_BO2K301_1 (PROTEASOME SUBUNIT BETA TYPE-5,PROTEASOME SUBUNIT BETA TYPE-5 PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 9	THR A 216 THR A 109 ALA A 32 ALA A 108 ALA A 39	None	1.01A	5l5zK-1ru3A: undetectable 5l5zL-1ru3A: undetectable	5l5zK-1ru3A: 15.68 5l5zL-1ru3A: 14.78
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.	5L5Z_Y_BO2Y301_1 (PROTEASOME SUBUNIT BETA TYPE-5,PROTEASOME SUBUNIT BETA TYPE-5 PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 9	THR A 216 THR A 109 ALA A 32 ALA A 108 ALA A 39	None	1.02A	5l5zY-1ru3A: undetectable 5l5zZ-1ru3A: undetectable	5l5zY-1ru3A: 15.68 5l5zZ-1ru3A: 14.78
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.	5TIW_B_OAQB302_0 (SULFOTRANSFERASE)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 12	ILE A 387 LEU A 480 VAL A 390 ILE A 410 THR A 414	None	1.29A	5tiwB-1ru3A: 2.1	5tiwB-1ru3A: 17.52
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.	6E5Z_A_CCSA106_0 (PROTEIN/NUCLEIC ACID DEGLYCASE DJ-1)	1ru3	ACETYL-COA SYNTHASE (Carboxydothermus hydrogenoformans)	5 / 10	GLY A 613 ASN A 612 ALA A 725 PRO A 724 GLY A 665	None	1.02A	6e5zA-1ru3A: 6.8	6e5zA-1ru3A: 14.45

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1CD2_A_FOLA307_1","DIHYDROFOLATE REDUCTASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",3,"GLU A 482;ILE A 483;ARG A 491","None","0.84A","1cd2A-1ru3A:0.1","1cd2A-1ru3A:14.42"],["1QW6_A_H4BA901_1","NITRIC-OXIDE SYNTHASE, BRAIN","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",3,"ARG A 312;VAL A 152;TRP A 154","None","1.05A","1qw6A-1ru3A:undetectable","1qw6A-1ru3A:21.36"],["1QWC_A_H4BA901_1","NITRIC-OXIDE SYNTHASE, BRAIN","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",3,"ARG A 312;VAL A 152;TRP A 154","None","1.04A","1qwcA-1ru3A:undetectable","1qwcA-1ru3A:21.36"],["1SG9_A_SAMA301_0","HEMK PROTEIN","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"PRO A  59;GLY A 137;ILE A 130;VAL A 218;PHE A 215","None","1.20A","1sg9A-1ru3A:3.7","1sg9A-1ru3A:18.72"],["1UDT_A_VIAA1000_1","CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"TYR A 543;ASN A 546;ALA A 541;MET A 398;GLN A 399","None","1.28A","1udtA-1ru3A:undetectable","1udtA-1ru3A:18.65"],["1VAG_A_H4BA901_1","NITRIC-OXIDE SYNTHASE, BRAIN","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",3,"ARG A 312;VAL A 152;TRP A 154","None","1.04A","1vagA-1ru3A:undetectable","1vagA-1ru3A:21.36"],["1X7P_A_SAMA301_0","RRNA METHYLTRANSFERASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"GLY A 106;GLY A 271;ILE A 116;ALA A  32;ALA A  35","None","1.00A","1x7pA-1ru3A:undetectable;1x7pB-1ru3A:undetectable","1x7pA-1ru3A:17.89;1x7pB-1ru3A:17.89"],["1YA3_B_STRB2001_2","MINERALOCORTICOID RECEPTOR","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",3,"LEU A 122;LEU A  42;MET A  82","None","0.54A","1ya3B-1ru3A:undetectable","1ya3B-1ru3A:15.95"],["1ZEA_A_DHIA6_0","MONOCLONAL ANTI-CHOLERA TOXIN IGG1 KAPPA ANTIBODY, H CHAIN;MONOCLONAL ANTI-CHOLERA TOXIN IGG1 KAPPA ANTIBODY, L CHAIN;SHORT SYNTHETIC D-AMINO ACID PEPTIDE D2","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",3,"TRP A 294;ARG A 103;PHE A  99","None","1.36A","1zeaH-1ru3A:0.0;1zeaL-1ru3A:undetectable","1zeaH-1ru3A:14.21;1zeaL-1ru3A:13.78"],["1ZVI_A_H4BA901_1","NITRIC-OXIDE SYNTHASE, BRAIN","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",3,"ARG A 312;VAL A 152;TRP A 154","None","1.02A","1zviA-1ru3A:2.1","1zviA-1ru3A:21.36"],["2F16_K_BO2K1402_1","PROTEASOME COMPONENT PRE2;PROTEASOME COMPONENT C5","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"THR A 216;THR A 109;ALA A  32;ALA A 108;ALA A  39","None","1.02A","2f16K-1ru3A:undetectable;2f16L-1ru3A:undetectable","2f16K-1ru3A:16.12;2f16L-1ru3A:15.64"],["2F16_Y_BO2Y1403_1","PROTEASOME COMPONENT PRE2;PROTEASOME COMPONENT C5","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"THR A 216;THR A 109;ALA A  32;ALA A 108;ALA A  39","None","1.01A","2f16Y-1ru3A:undetectable;2f16Z-1ru3A:undetectable","2f16Y-1ru3A:16.12;2f16Z-1ru3A:15.64"],["2G70_B_SAMB2002_1","PHENYLETHANOLAMINE N-METHYLTRANSFERASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"TYR A 224;GLY A 140;TYR A 210;ASP A  60","None","0.94A","2g70B-1ru3A:2.6","2g70B-1ru3A:16.96"],["2G72_A_SAMA2001_1","PHENYLETHANOLAMINE N-METHYLTRANSFERASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"TYR A 224;TYR A 210;GLY A 140;ASP A 141","None","1.21A","2g72A-1ru3A:2.5","2g72A-1ru3A:16.96"],["2O4N_A_TPVA300_2","PROTEASE;PROTEASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"LEU A 447;ILE A 321;GLY A 328;LEU A 451","None","0.67A","2o4nB-1ru3A:undetectable","2o4nB-1ru3A:8.93"],["2PRG_A_BRLA1_2","PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",3,"ILE A 627;ILE A 604;LEU A 718","None","0.45A","2prgA-1ru3A:undetectable","2prgA-1ru3A:17.62"],["2QHF_A_NCAA493_0","CHORISMATE SYNTHASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"ALA A 606;ILE A 604;MET A 629;ILE A 627;VAL A 638","None;None;GOL A 967 (-4.8A);None;None","1.20A","2qhfA-1ru3A:undetectable","2qhfA-1ru3A:20.30"],["2QX4_B_ML1B233_1","RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE];RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE]","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"GLY A 640;THR A 642;PHE A 601;PHE A 631","None","1.17A","2qx4A-1ru3A:undetectable;2qx4B-1ru3A:3.4","2qx4A-1ru3A:15.79;2qx4B-1ru3A:15.79"],["2WUZ_B_TPFB1460_1","LANOSTEROL 14-ALPHA-DEMETHYLASE, PUTATIVE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"MET A 185;PHE A 187;ALA A 221;ALA A 225;VAL A 152","None","1.44A","2wuzB-1ru3A:undetectable","2wuzB-1ru3A:21.32"],["3BJW_C_SVRC507_2","PHOSPHOLIPASE A2;PHOSPHOLIPASE A2","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"VAL A 391;VAL A 390;ARG A 357;ARG A 481","None","1.14A","3bjwF-1ru3A:undetectable","3bjwF-1ru3A:9.85"],["3KK6_B_CELB1701_2","PROSTAGLANDIN G\/H SYNTHASE 1","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"VAL A 218;LEU A  86;ILE A  93;ALA A 113","None","0.84A","3kk6B-1ru3A:undetectable","3kk6B-1ru3A:22.15"],["3SI7_C_ACTC4_0","CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"GLY A 419;GLY A 417;THR A 414;LEU A 447","None","0.93A","3si7C-1ru3A:undetectable;3si7D-1ru3A:undetectable","3si7C-1ru3A:16.94;3si7D-1ru3A:16.94"],["3T3C_A_017A201_2","HIV-1 PROTEASE;HIV-1 PROTEASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"ALA A 113;VAL A 218;GLY A 106;ALA A 222;VAL A 219","None","1.02A","3t3cB-1ru3A:undetectable","3t3cB-1ru3A:9.76"],["3T3R_B_9PLB501_1","CYTOCHROME P450 2A6","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"PHE A  11;PHE A  99;ILE A 273;GLY A 271;PHE A   7","None","1.38A","3t3rB-1ru3A:0.0","3t3rB-1ru3A:22.39"],["3VYW_C_SAMC401_0","MNMC2","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"HIS A 723;LEU A 611;GLY A 613;ALA A 603;LEU A 677","None","0.95A","3vywC-1ru3A:3.3","3vywC-1ru3A:16.73"],["3W9T_E_W9TE506_1","HEMOLYTIC LECTIN CEL-III","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"THR A 216;CYH A 189;GLY A 213;ASP A 190","None","1.13A","3w9tE-1ru3A:undetectable","3w9tE-1ru3A:18.54"],["4LHM_A_AZZA510_1","THYMIDINE PHOSPHORYLASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"THR A 414;VAL A 391;ILE A 389;PHE A 413;LEU A 447","None","1.49A","4lhmA-1ru3A:4.0","4lhmA-1ru3A:22.69"],["4LL3_A_017A201_1","PROTEASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"ASP A  81;GLY A  57;PRO A  66;VAL A  67;ILE A  68","None;GOL A 962 (-3.1A);None;None;None","1.25A","4ll3A-1ru3A:undetectable","4ll3A-1ru3A:8.23"],["4LV9_A_20JA602_1","NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"VAL A 670;ILE A 655;ILE A 650;ALA A 603","None","0.83A","4lv9A-1ru3A:undetectable","4lv9A-1ru3A:21.21"],["4PBH_A_BEZA401_0","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT, PUTATIVE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"ILE A 280;THR A 307;LEU A 256;ASP A 178;LEU A 179","None","1.28A","4pbhA-1ru3A:0.5","4pbhA-1ru3A:18.61"],["4QOP_A_HQEA503_1","CATALASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"ILE A 162;PHE A 254;LEU A 256;LEU A 184;ASP A 178","None","1.35A","4qopA-1ru3A:undetectable","4qopA-1ru3A:20.52"],["4QOP_B_HQEB503_1","CATALASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"ILE A 162;PHE A 254;LEU A 256;LEU A 184;ASP A 178","None","1.36A","4qopB-1ru3A:undetectable","4qopB-1ru3A:20.52"],["4R87_H_SPMH202_1","SPERMIDINE N1-ACETYLTRANSFERASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"ASN A 223;GLU A 117;TYR A 111;GLU A 114","None","1.46A","4r87H-1ru3A:0.8","4r87H-1ru3A:13.14"],["4V1F_B_BQ1B1087_0","F0F1 ATP SYNTHASE SUBUNIT C","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"ALA A 171;ALA A 172;ILE A 175;LEU A 256","None","0.52A","4v1fA-1ru3A:undetectable;4v1fB-1ru3A:undetectable","4v1fA-1ru3A:8.61;4v1fB-1ru3A:8.61"],["4XO7_B_ASDB402_1","ALDO-KETO REDUCTASE FAMILY 1 MEMBER C2","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"TYR A 257;VAL A 255;HIS A 261;LEU A 285","None","1.19A","4xo7B-1ru3A:undetectable","4xo7B-1ru3A:18.69"],["4XP9_C_1WEC706_1","TRANSPORTER","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"PHE A 232;ASP A 153;GLY A 148;SER A 514","None","1.30A","4xp9C-1ru3A:undetectable","4xp9C-1ru3A:22.27"],["5DWK_C_ACTC207_0","DIACYLGLYCEROL KINASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",4,"GLU A 117;ALA A 118;GLU A 114;ASN A 223","None","1.07A","5dwkC-1ru3A:2.7","5dwkC-1ru3A:10.70"],["5FVO_A_H4BA760_1","NITRIC OXIDE SYNTHASE, BRAIN","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",3,"ARG A 312;VAL A 152;TRP A 154","None","1.04A","5fvoA-1ru3A:undetectable","5fvoA-1ru3A:19.70"],["5KIR_A_RCXA601_2","PROSTAGLANDIN G\/H SYNTHASE 2","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",3,"ARG A 688;ILE A 655;PHE A 660","None","0.69A","5kirA-1ru3A:undetectable","5kirA-1ru3A:21.21"],["5L5Z_K_BO2K301_1","PROTEASOME SUBUNIT BETA TYPE-5,PROTEASOME SUBUNIT BETA TYPE-5;PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"THR A 216;THR A 109;ALA A  32;ALA A 108;ALA A  39","None","1.01A","5l5zK-1ru3A:undetectable;5l5zL-1ru3A:undetectable","5l5zK-1ru3A:15.68;5l5zL-1ru3A:14.78"],["5L5Z_Y_BO2Y301_1","PROTEASOME SUBUNIT BETA TYPE-5,PROTEASOME SUBUNIT BETA TYPE-5;PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"THR A 216;THR A 109;ALA A  32;ALA A 108;ALA A  39","None","1.02A","5l5zY-1ru3A:undetectable;5l5zZ-1ru3A:undetectable","5l5zY-1ru3A:15.68;5l5zZ-1ru3A:14.78"],["5TIW_B_OAQB302_0","SULFOTRANSFERASE","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"ILE A 387;LEU A 480;VAL A 390;ILE A 410;THR A 414","None","1.29A","5tiwB-1ru3A:2.1","5tiwB-1ru3A:17.52"],["6E5Z_A_CCSA106_0","PROTEIN\/NUCLEIC ACID DEGLYCASE DJ-1","1ru3","ACETYL-COA SYNTHASE","Carboxydothermus hydrogenoformans",5,"GLY A 613;ASN A 612;ALA A 725;PRO A 724;GLY A 665","None","1.02A","6e5zA-1ru3A:6.8","6e5zA-1ru3A:14.45"]]