SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3o82'

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.	1A8U_A_BEZA295_0 (CHLOROPEROXIDASE T)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 10	PHE A 95 SER A 63 LEU A 59 THR A 31 LEU A 34	None	1.21A	1a8uA-3o82A: 2.5	1a8uA-3o82A: 20.42
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.	1A8U_B_BEZB294_0 (CHLOROPEROXIDASE T)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 10	PHE A 95 SER A 63 LEU A 59 THR A 31 LEU A 34	None	1.29A	1a8uB-3o82A: 2.7	1a8uB-3o82A: 20.42
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.	1AFS_A_TESA325_1 (3-ALPHA-HYDROXYSTERO ID DEHYDROGENASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	4 / 7	TYR A 346 THR A 395 ASN A 242 TYR A 214	None None HP8 A 601 (-4.0A) None	1.40A	1afsA-3o82A: undetectable	1afsA-3o82A: 18.81
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.	1CBR_A_REAA200_1 (CELLULAR RETINOIC ACID BINDING PROTEIN TYPE I)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 12	LEU A 70 ALA A 101 PRO A 29 THR A 35 THR A 31	None	1.25A	1cbrA-3o82A: undetectable	1cbrA-3o82A: 13.95
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.	1CBR_B_REAB200_1 (CELLULAR RETINOIC ACID BINDING PROTEIN TYPE I)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 12	LEU A 70 ALA A 101 PRO A 29 THR A 35 THR A 31	None	1.25A	1cbrB-3o82A: undetectable	1cbrB-3o82A: 13.95
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.	1I7Z_A_COCA301_1 (CHIMERA OF IG KAPPA CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	4 / 8	LEU A 321 LEU A 285 GLU A 295 TRP A 293	None	1.02A	1i7zA-3o82A: undetectable	1i7zA-3o82A: 18.34
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.	1IIU_A_RTLA176_0 (PLASMA RETINOL-BINDING PROTEIN)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 11	LEU A 233 LEU A 237 ALA A 315 LEU A 310 GLN A 311	None	1.35A	1iiuA-3o82A: undetectable	1iiuA-3o82A: 15.87
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.	1K4T_D_TTCD990_1 (DNA TOPOISOMERASE I)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	4 / 5	GLU A 14 ARG A 20 ASP A 27 THR A 210	None	1.17A	1k4tA-3o82A: undetectable	1k4tA-3o82A: 20.93
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.	1MMK_A_H4BA1427_1 (PHENYLALANINE-4-HYDR OXYLASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 12	LEU A 62 LEU A 59 SER A 55 LEU A 45 GLU A 90	None	1.20A	1mmkA-3o82A: undetectable	1mmkA-3o82A: 21.96
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.	1Q23_L_FUAL710_2 (CHLORAMPHENICOL ACETYLTRANSFERASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 11	PHE A 272 LEU A 310 VAL A 312 PHE A 317 VAL A 325	None	1.25A	1q23L-3o82A: undetectable	1q23L-3o82A: 17.72
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.	1RR8_A_TTCA100_1 (DNA TOPOISOMERASE I)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	4 / 5	GLU A 14 ARG A 20 ASP A 27 THR A 210	None	1.29A	1rr8C-3o82A: undetectable	1rr8C-3o82A: 20.97
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.	1RRJ_B_TTCB990_1 (DNA TOPOISOMERASE I)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	4 / 5	GLU A 14 ARG A 20 ASP A 27 THR A 210	None	1.24A	1rrjA-3o82A: undetectable	1rrjA-3o82A: 19.93
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.	1XDK_B_9CRB600_1 (RETINOIC ACID RECEPTOR, BETA)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 12	LEU A 128 ILE A 130 ARG A 133 LEU A 66 LEU A 75	None	1.12A	1xdkB-3o82A: undetectable	1xdkB-3o82A: 18.77
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.	2AOI_C_FRDC305_2 (POL POLYPROTEIN PEPTIDE INHIBITOR)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	4 / 5	LEU A 294 PRO A 287 VAL A 290 ILE A 291	None	0.80A	2aoiB-3o82A: undetectable	2aoiB-3o82A: 10.65
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.	2BXQ_A_P1ZA2002_1 (SERUM ALBUMIN)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	6 / 12	LEU A 85 LEU A 160 LEU A 170 ILE A 173 ILE A 93 ALA A 89	None	1.47A	2bxqA-3o82A: undetectable	2bxqA-3o82A: 22.57
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.	2I30_A_SALA1200_1 (SERUM ALBUMIN)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	4 / 4	LEU A 160 ILE A 173 ILE A 93 ALA A 89	None	0.82A	2i30A-3o82A: undetectable	2i30A-3o82A: 21.89
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.	2R2V_D_ACTD36_0 (GCN4 LEUCINE ZIPPER)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	3 / 3	SER A 44 TYR A 56 HIS A 43	None	0.69A	2r2vD-3o82A: undetectable	2r2vD-3o82A: 5.82
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.	2VCV_B_ASDB1224_1 (GLUTATHIONE S-TRANSFERASE A3)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	4 / 6	PHE A 272 LEU A 285 LEU A 294 ALA A 297	None	0.96A	2vcvB-3o82A: undetectable	2vcvB-3o82A: 16.45
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.	2WEK_B_DIFB1376_1 (ZINC-BINDING ALCOHOL DEHYDROGENASE DOMAIN-CONTAINING PROTEIN 2)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	4 / 7	VAL A 218 GLY A 249 ALA A 250 LEU A 254	None	0.72A	2wekB-3o82A: 2.3	2wekB-3o82A: 20.81
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_SORA1_0 (LIN-12 AND GLP-1 PHENOTYPE PROTEIN 1, ISOFORM A)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	3 / 3	GLY A 392 ASP A 368 SER A 365	None	0.71A	3brfA-3o82A: undetectable	3brfA-3o82A: 23.50
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.	3BSZ_E_RTLE177_0 (PLASMA RETINOL-BINDING PROTEIN)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 11	LEU A 294 ALA A 298 ALA A 297 VAL A 290 LEU A 310	None	1.17A	3bszE-3o82A: undetectable	3bszE-3o82A: 16.04
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.	3GWX_A_EPAA1_1 (PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA)))	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 10	PHE A 167 LEU A 98 VAL A 83 VAL A 94 LEU A 66	None	0.81A	3gwxA-3o82A: undetectable	3gwxA-3o82A: 20.87
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.	3U9F_D_CLMD221_0 (CHLORAMPHENICOL ACETYLTRANSFERASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 12	PHE A 272 LEU A 310 PHE A 317 VAL A 325 ALA A 289	None	1.19A	3u9fD-3o82A: undetectable 3u9fE-3o82A: undetectable	3u9fD-3o82A: 17.72 3u9fE-3o82A: 17.72
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.	3U9F_E_CLME221_0 (CHLORAMPHENICOL ACETYLTRANSFERASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 10	PHE A 272 LEU A 310 VAL A 312 PHE A 317 VAL A 325	None	1.25A	3u9fE-3o82A: undetectable	3u9fE-3o82A: 17.72
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.	3U9F_G_CLMG221_0 (CHLORAMPHENICOL ACETYLTRANSFERASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 12	PHE A 272 LEU A 310 PHE A 317 VAL A 325 ALA A 289	None	1.22A	3u9fG-3o82A: undetectable 3u9fH-3o82A: undetectable	3u9fG-3o82A: 17.72 3u9fH-3o82A: 17.72
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.	3U9F_I_CLMI221_1 (CHLORAMPHENICOL ACETYLTRANSFERASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 10	PHE A 272 LEU A 310 VAL A 312 PHE A 317 VAL A 325	None	1.24A	3u9fI-3o82A: undetectable	3u9fI-3o82A: 17.72
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.	3U9F_K_CLMK221_0 (CHLORAMPHENICOL ACETYLTRANSFERASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 10	PHE A 272 LEU A 310 VAL A 312 PHE A 317 VAL A 325	None	1.30A	3u9fK-3o82A: undetectable	3u9fK-3o82A: 17.72
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.	3U9F_N_CLMN221_0 (CHLORAMPHENICOL ACETYLTRANSFERASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 11	PHE A 272 LEU A 310 VAL A 312 PHE A 317 VAL A 325	None	1.25A	3u9fN-3o82A: undetectable 3u9fO-3o82A: undetectable	3u9fN-3o82A: 17.72 3u9fO-3o82A: 17.72
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.	3U9F_P_CLMP221_0 (CHLORAMPHENICOL ACETYLTRANSFERASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 9	PHE A 272 LEU A 310 VAL A 312 PHE A 317 VAL A 325	None	1.25A	3u9fP-3o82A: undetectable	3u9fP-3o82A: 17.72
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.	3U9F_R_CLMR221_0 (CHLORAMPHENICOL ACETYLTRANSFERASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 10	PHE A 272 LEU A 310 VAL A 312 PHE A 317 VAL A 325	None	1.26A	3u9fR-3o82A: undetectable	3u9fR-3o82A: 17.72
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.	3U9F_S_CLMS221_0 (CHLORAMPHENICOL ACETYLTRANSFERASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 12	PHE A 272 LEU A 310 VAL A 312 PHE A 317 VAL A 325	None	1.24A	3u9fP-3o82A: undetectable 3u9fS-3o82A: undetectable	3u9fP-3o82A: 17.72 3u9fS-3o82A: 17.72
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.	3UJ7_A_SAMA301_1 (PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	3 / 3	SER A 221 ASP A 215 ASP A 27	None	0.88A	3uj7A-3o82A: undetectable	3uj7A-3o82A: 19.78
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.	3UNI_B_SALB1345_1 (XANTHINE DEHYDROGENASE/OXIDAS E)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	4 / 8	LEU A 128 VAL A 94 LEU A 66 ALA A 101	None	0.84A	3uniB-3o82A: undetectable	3uniB-3o82A: 17.77
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.	3V4T_E_ACTE503_0 (UDP-N-ACETYLGLUCOSAM INE 1-CARBOXYVINYLTRANSF ERASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	3 / 3	GLN A 355 THR A 425 ASN A 429	None	0.86A	3v4tE-3o82A: undetectable	3v4tE-3o82A: 24.91
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.	4G24_A_ACAA1004_1 (PENTATRICOPEPTIDE REPEAT-CONTAINING PROTEIN AT2G32230, MITOCHONDRIAL)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	4 / 6	ALA A 108 ASN A 107 LEU A 106 VAL A 105	None	0.96A	4g24A-3o82A: undetectable	4g24A-3o82A: 23.00
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.	4K17_B_OHBB701_0 (LEUCINE-RICH REPEAT-CONTAINING PROTEIN 16A)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	4 / 5	SER A 366 ARG A 15 PRO A 393 SER A 365	None	1.25A	4k17B-3o82A: undetectable	4k17B-3o82A: 21.52
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.	4XJ7_A_ADNA303_1 (5'/3'-NUCLEOTIDASE SURE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 10	GLY A 168 ALA A 97 ILE A 130 LEU A 169 LEU A 158	None	0.98A	4xj7A-3o82A: undetectable 4xj7B-3o82A: undetectable	4xj7A-3o82A: 20.26 4xj7B-3o82A: 20.26
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.	4XJ7_D_ADND303_1 (5'/3'-NUCLEOTIDASE SURE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 10	LEU A 169 LEU A 158 GLY A 168 ALA A 97 ILE A 130	None	1.04A	4xj7C-3o82A: undetectable 4xj7D-3o82A: undetectable	4xj7C-3o82A: 20.26 4xj7D-3o82A: 20.26
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.	4Z2E_H_TR6H101_1 (DNA GYRASE SUBUNIT A DNA GYRASE SUBUNIT B SYMMETRIZED E-SITE DNA)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	3 / 5	GLY A 338 GLY A 342 GLU A 341	HP8 A 601 (-3.5A) None HP8 A 601 ( 4.8A)	0.43A	4z2eA-3o82A: undetectable 4z2eD-3o82A: undetectable	4z2eA-3o82A: 22.39 4z2eD-3o82A: 21.22
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.	5L1F_C_6ZPC902_1 (GLUTAMATE RECEPTOR 2)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	4 / 7	SER A 366 ASP A 367 PRO A 393 TYR A 394	None	1.23A	5l1fC-3o82A: 4.2	5l1fC-3o82A: 22.29
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.	5LAK_I_BEZI1_0 (3CL PROTEASE BEZ-TYR-TYR-ASN-ECC PEPTIDE INHIBITOR)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	3 / 3	SER A 418 TYR A 417 TYR A 416	HP8 A 601 ( 4.6A) None None	0.84A	5lakA-3o82A: undetectable 5lakI-3o82A: undetectable	5lakA-3o82A: 19.78 5lakI-3o82A: 2.78
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.	5LAK_J_BEZJ1_0 (3CL PROTEASE BEZ-TYR-TYR-ASN-ECC PEPTIDE INHIBITOR)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	3 / 3	SER A 418 TYR A 417 TYR A 416	HP8 A 601 ( 4.6A) None None	0.84A	5lakC-3o82A: undetectable 5lakJ-3o82A: undetectable	5lakC-3o82A: 19.78 5lakJ-3o82A: 2.78
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.	5LSU_B_SAMB1304_1 (HISTONE-LYSINE N-METHYLTRANSFERASE NSD2)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	3 / 3	ASN A 87 TYR A 92 CYH A 49	None	1.01A	5lsuB-3o82A: undetectable	5lsuB-3o82A: 17.15
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.	5W7P_A_SAMA501_0 (OXAC)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 12	ALA A 250 GLY A 249 SER A 246 VAL A 218 LEU A 59	None	1.01A	5w7pA-3o82A: undetectable	5w7pA-3o82A: 21.38
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.	5WM2_A_SALA601_1 (SALICYLATE-AMP LIGASE)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	6 / 9	HIS A 241 ASN A 242 PHE A 243 GLY A 314 VAL A 336 GLY A 338	HP8 A 601 (-4.1A) HP8 A 601 (-4.0A) HP8 A 601 (-4.0A) HP8 A 601 (-3.5A) HP8 A 601 (-4.8A) HP8 A 601 (-3.5A)	0.38A	5wm2A-3o82A: 56.7	5wm2A-3o82A: 8.67
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.	5XXI_A_LSNA503_1 (CYTOCHROME P450 2C9)	3o82	PEPTIDE ARYLATION ENZYME (Acinetobacter baumannii)	5 / 12	ILE A 275 PHE A 243 LEU A 333 PRO A 326 LEU A 307	None HP8 A 601 (-4.0A) None None None	1.22A	5xxiA-3o82A: undetectable	5xxiA-3o82A: 22.45

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1A8U_A_BEZA295_0","CHLOROPEROXIDASE T","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"PHE A  95;SER A  63;LEU A  59;THR A  31;LEU A  34","None","1.21A","1a8uA-3o82A:2.5","1a8uA-3o82A:20.42"],["1A8U_B_BEZB294_0","CHLOROPEROXIDASE T","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"PHE A  95;SER A  63;LEU A  59;THR A  31;LEU A  34","None","1.29A","1a8uB-3o82A:2.7","1a8uB-3o82A:20.42"],["1AFS_A_TESA325_1","3-ALPHA-HYDROXYSTEROID DEHYDROGENASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",4,"TYR A 346;THR A 395;ASN A 242;TYR A 214","None;None;HP8 A 601 (-4.0A);None","1.40A","1afsA-3o82A:undetectable","1afsA-3o82A:18.81"],["1CBR_A_REAA200_1","CELLULAR RETINOIC ACID BINDING PROTEIN TYPE I","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"LEU A  70;ALA A 101;PRO A  29;THR A  35;THR A  31","None","1.25A","1cbrA-3o82A:undetectable","1cbrA-3o82A:13.95"],["1CBR_B_REAB200_1","CELLULAR RETINOIC ACID BINDING PROTEIN TYPE I","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"LEU A  70;ALA A 101;PRO A  29;THR A  35;THR A  31","None","1.25A","1cbrB-3o82A:undetectable","1cbrB-3o82A:13.95"],["1I7Z_A_COCA301_1","CHIMERA OF IG KAPPA CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",4,"LEU A 321;LEU A 285;GLU A 295;TRP A 293","None","1.02A","1i7zA-3o82A:undetectable","1i7zA-3o82A:18.34"],["1IIU_A_RTLA176_0","PLASMA RETINOL-BINDING PROTEIN","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"LEU A 233;LEU A 237;ALA A 315;LEU A 310;GLN A 311","None","1.35A","1iiuA-3o82A:undetectable","1iiuA-3o82A:15.87"],["1K4T_D_TTCD990_1","DNA TOPOISOMERASE I","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",4,"GLU A  14;ARG A  20;ASP A  27;THR A 210","None","1.17A","1k4tA-3o82A:undetectable","1k4tA-3o82A:20.93"],["1MMK_A_H4BA1427_1","PHENYLALANINE-4-HYDROXYLASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"LEU A  62;LEU A  59;SER A  55;LEU A  45;GLU A  90","None","1.20A","1mmkA-3o82A:undetectable","1mmkA-3o82A:21.96"],["1Q23_L_FUAL710_2","CHLORAMPHENICOL ACETYLTRANSFERASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"PHE A 272;LEU A 310;VAL A 312;PHE A 317;VAL A 325","None","1.25A","1q23L-3o82A:undetectable","1q23L-3o82A:17.72"],["1RR8_A_TTCA100_1","DNA TOPOISOMERASE I","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",4,"GLU A  14;ARG A  20;ASP A  27;THR A 210","None","1.29A","1rr8C-3o82A:undetectable","1rr8C-3o82A:20.97"],["1RRJ_B_TTCB990_1","DNA TOPOISOMERASE I","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",4,"GLU A  14;ARG A  20;ASP A  27;THR A 210","None","1.24A","1rrjA-3o82A:undetectable","1rrjA-3o82A:19.93"],["1XDK_B_9CRB600_1","RETINOIC ACID RECEPTOR, BETA","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"LEU A 128;ILE A 130;ARG A 133;LEU A  66;LEU A  75","None","1.12A","1xdkB-3o82A:undetectable","1xdkB-3o82A:18.77"],["2AOI_C_FRDC305_2","POL POLYPROTEIN;PEPTIDE INHIBITOR","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",4,"LEU A 294;PRO A 287;VAL A 290;ILE A 291","None","0.80A","2aoiB-3o82A:undetectable","2aoiB-3o82A:10.65"],["2BXQ_A_P1ZA2002_1","SERUM ALBUMIN","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",6,"LEU A  85;LEU A 160;LEU A 170;ILE A 173;ILE A  93;ALA A  89","None","1.47A","2bxqA-3o82A:undetectable","2bxqA-3o82A:22.57"],["2I30_A_SALA1200_1","SERUM ALBUMIN","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",4,"LEU A 160;ILE A 173;ILE A  93;ALA A  89","None","0.82A","2i30A-3o82A:undetectable","2i30A-3o82A:21.89"],["2R2V_D_ACTD36_0","GCN4 LEUCINE ZIPPER","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",3,"SER A  44;TYR A  56;HIS A  43","None","0.69A","2r2vD-3o82A:undetectable","2r2vD-3o82A:5.82"],["2VCV_B_ASDB1224_1","GLUTATHIONE S-TRANSFERASE A3","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",4,"PHE A 272;LEU A 285;LEU A 294;ALA A 297","None","0.96A","2vcvB-3o82A:undetectable","2vcvB-3o82A:16.45"],["2WEK_B_DIFB1376_1","ZINC-BINDING ALCOHOL DEHYDROGENASE DOMAIN-CONTAINING PROTEIN 2","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",4,"VAL A 218;GLY A 249;ALA A 250;LEU A 254","None","0.72A","2wekB-3o82A:2.3","2wekB-3o82A:20.81"],["3BRF_A_SORA1_0","LIN-12 AND GLP-1 PHENOTYPE PROTEIN 1, ISOFORM A","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",3,"GLY A 392;ASP A 368;SER A 365","None","0.71A","3brfA-3o82A:undetectable","3brfA-3o82A:23.50"],["3BSZ_E_RTLE177_0","PLASMA RETINOL-BINDING PROTEIN","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"LEU A 294;ALA A 298;ALA A 297;VAL A 290;LEU A 310","None","1.17A","3bszE-3o82A:undetectable","3bszE-3o82A:16.04"],["3GWX_A_EPAA1_1","PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA))","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"PHE A 167;LEU A  98;VAL A  83;VAL A  94;LEU A  66","None","0.81A","3gwxA-3o82A:undetectable","3gwxA-3o82A:20.87"],["3U9F_D_CLMD221_0","CHLORAMPHENICOL ACETYLTRANSFERASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"PHE A 272;LEU A 310;PHE A 317;VAL A 325;ALA A 289","None","1.19A","3u9fD-3o82A:undetectable;3u9fE-3o82A:undetectable","3u9fD-3o82A:17.72;3u9fE-3o82A:17.72"],["3U9F_E_CLME221_0","CHLORAMPHENICOL ACETYLTRANSFERASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"PHE A 272;LEU A 310;VAL A 312;PHE A 317;VAL A 325","None","1.25A","3u9fE-3o82A:undetectable","3u9fE-3o82A:17.72"],["3U9F_G_CLMG221_0","CHLORAMPHENICOL ACETYLTRANSFERASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"PHE A 272;LEU A 310;PHE A 317;VAL A 325;ALA A 289","None","1.22A","3u9fG-3o82A:undetectable;3u9fH-3o82A:undetectable","3u9fG-3o82A:17.72;3u9fH-3o82A:17.72"],["3U9F_I_CLMI221_1","CHLORAMPHENICOL ACETYLTRANSFERASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"PHE A 272;LEU A 310;VAL A 312;PHE A 317;VAL A 325","None","1.24A","3u9fI-3o82A:undetectable","3u9fI-3o82A:17.72"],["3U9F_K_CLMK221_0","CHLORAMPHENICOL ACETYLTRANSFERASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"PHE A 272;LEU A 310;VAL A 312;PHE A 317;VAL A 325","None","1.30A","3u9fK-3o82A:undetectable","3u9fK-3o82A:17.72"],["3U9F_N_CLMN221_0","CHLORAMPHENICOL ACETYLTRANSFERASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"PHE A 272;LEU A 310;VAL A 312;PHE A 317;VAL A 325","None","1.25A","3u9fN-3o82A:undetectable;3u9fO-3o82A:undetectable","3u9fN-3o82A:17.72;3u9fO-3o82A:17.72"],["3U9F_P_CLMP221_0","CHLORAMPHENICOL ACETYLTRANSFERASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"PHE A 272;LEU A 310;VAL A 312;PHE A 317;VAL A 325","None","1.25A","3u9fP-3o82A:undetectable","3u9fP-3o82A:17.72"],["3U9F_R_CLMR221_0","CHLORAMPHENICOL ACETYLTRANSFERASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"PHE A 272;LEU A 310;VAL A 312;PHE A 317;VAL A 325","None","1.26A","3u9fR-3o82A:undetectable","3u9fR-3o82A:17.72"],["3U9F_S_CLMS221_0","CHLORAMPHENICOL ACETYLTRANSFERASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"PHE A 272;LEU A 310;VAL A 312;PHE A 317;VAL A 325","None","1.24A","3u9fP-3o82A:undetectable;3u9fS-3o82A:undetectable","3u9fP-3o82A:17.72;3u9fS-3o82A:17.72"],["3UJ7_A_SAMA301_1","PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",3,"SER A 221;ASP A 215;ASP A  27","None","0.88A","3uj7A-3o82A:undetectable","3uj7A-3o82A:19.78"],["3UNI_B_SALB1345_1","XANTHINE DEHYDROGENASE\/OXIDASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",4,"LEU A 128;VAL A  94;LEU A  66;ALA A 101","None","0.84A","3uniB-3o82A:undetectable","3uniB-3o82A:17.77"],["3V4T_E_ACTE503_0","UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",3,"GLN A 355;THR A 425;ASN A 429","None","0.86A","3v4tE-3o82A:undetectable","3v4tE-3o82A:24.91"],["4G24_A_ACAA1004_1","PENTATRICOPEPTIDE REPEAT-CONTAINING PROTEIN AT2G32230, MITOCHONDRIAL","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",4,"ALA A 108;ASN A 107;LEU A 106;VAL A 105","None","0.96A","4g24A-3o82A:undetectable","4g24A-3o82A:23.00"],["4K17_B_OHBB701_0","LEUCINE-RICH REPEAT-CONTAINING PROTEIN 16A","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",4,"SER A 366;ARG A  15;PRO A 393;SER A 365","None","1.25A","4k17B-3o82A:undetectable","4k17B-3o82A:21.52"],["4XJ7_A_ADNA303_1","5'\/3'-NUCLEOTIDASE SURE;5'\/3'-NUCLEOTIDASE SURE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"GLY A 168;ALA A  97;ILE A 130;LEU A 169;LEU A 158","None","0.98A","4xj7A-3o82A:undetectable;4xj7B-3o82A:undetectable","4xj7A-3o82A:20.26;4xj7B-3o82A:20.26"],["4XJ7_D_ADND303_1","5'\/3'-NUCLEOTIDASE SURE;5'\/3'-NUCLEOTIDASE SURE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"LEU A 169;LEU A 158;GLY A 168;ALA A  97;ILE A 130","None","1.04A","4xj7C-3o82A:undetectable;4xj7D-3o82A:undetectable","4xj7C-3o82A:20.26;4xj7D-3o82A:20.26"],["4Z2E_H_TR6H101_1","DNA GYRASE SUBUNIT A;DNA GYRASE SUBUNIT B;SYMMETRIZED E-SITE DNA","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",3,"GLY A 338;GLY A 342;GLU A 341","HP8 A 601 (-3.5A);None;HP8 A 601 ( 4.8A)","0.43A","4z2eA-3o82A:undetectable;4z2eD-3o82A:undetectable","4z2eA-3o82A:22.39;4z2eD-3o82A:21.22"],["5L1F_C_6ZPC902_1","GLUTAMATE RECEPTOR 2","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",4,"SER A 366;ASP A 367;PRO A 393;TYR A 394","None","1.23A","5l1fC-3o82A:4.2","5l1fC-3o82A:22.29"],["5LAK_I_BEZI1_0","3CL PROTEASE;BEZ-TYR-TYR-ASN-ECC PEPTIDE INHIBITOR","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",3,"SER A 418;TYR A 417;TYR A 416","HP8 A 601 ( 4.6A);None;None","0.84A","5lakA-3o82A:undetectable;5lakI-3o82A:undetectable","5lakA-3o82A:19.78;5lakI-3o82A:2.78"],["5LAK_J_BEZJ1_0","3CL PROTEASE;BEZ-TYR-TYR-ASN-ECC PEPTIDE INHIBITOR","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",3,"SER A 418;TYR A 417;TYR A 416","HP8 A 601 ( 4.6A);None;None","0.84A","5lakC-3o82A:undetectable;5lakJ-3o82A:undetectable","5lakC-3o82A:19.78;5lakJ-3o82A:2.78"],["5LSU_B_SAMB1304_1","HISTONE-LYSINE N-METHYLTRANSFERASE NSD2","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",3,"ASN A  87;TYR A  92;CYH A  49","None","1.01A","5lsuB-3o82A:undetectable","5lsuB-3o82A:17.15"],["5W7P_A_SAMA501_0","OXAC","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"ALA A 250;GLY A 249;SER A 246;VAL A 218;LEU A  59","None","1.01A","5w7pA-3o82A:undetectable","5w7pA-3o82A:21.38"],["5WM2_A_SALA601_1","SALICYLATE-AMP LIGASE","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",6,"HIS A 241;ASN A 242;PHE A 243;GLY A 314;VAL A 336;GLY A 338","HP8 A 601 (-4.1A);HP8 A 601 (-4.0A);HP8 A 601 (-4.0A);HP8 A 601 (-3.5A);HP8 A 601 (-4.8A);HP8 A 601 (-3.5A)","0.38A","5wm2A-3o82A:56.7","5wm2A-3o82A:8.67"],["5XXI_A_LSNA503_1","CYTOCHROME P450 2C9","3o82","PEPTIDE ARYLATION ENZYME","Acinetobacter baumannii",5,"ILE A 275;PHE A 243;LEU A 333;PRO A 326;LEU A 307","None;HP8 A 601 (-4.0A);None;None;None","1.22A","5xxiA-3o82A:undetectable","5xxiA-3o82A:22.45"]]