SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2qa1'

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.	1HSG_B_MK1B902_2 (HIV-1 PROTEASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	ALA A 145 ASP A 2 VAL A 29 VAL A 8 ILE A 6	None None None FAD A 500 (-4.8A) None	1.06A	1hsgB-2qa1A: undetectable	1hsgB-2qa1A: 10.00
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.	1JFF_B_TA1B601_1 (TUBULIN BETA CHAIN)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	ASP A 463 LEU A 419 LEU A 452 THR A 455 GLY A 388	None None None None EDO A 604 ( 4.2A)	1.21A	1jffB-2qa1A: 2.5	1jffB-2qa1A: 21.43
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.	1QU2_A_MRCA1993_2 (ISOLEUCYL-TRNA SYNTHETASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	3 / 3	GLU A 40 TRP A 251 LYS A 140	None	1.32A	1qu2A-2qa1A: undetectable	1qu2A-2qa1A: 19.50
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.	1SG9_A_SAMA301_1 (HEMK PROTEIN)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	4 / 4	THR A 449 GLY A 82 ASP A 80 ALA A 363	None	1.24A	1sg9A-2qa1A: 2.8	1sg9A-2qa1A: 21.49
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.	2HXF_B_TA1B601_1 (TUBULIN BETA CHAIN)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	ASP A 463 LEU A 419 LEU A 452 THR A 455 GLY A 388	None None None None EDO A 604 ( 4.2A)	1.21A	2hxfB-2qa1A: 2.6	2hxfB-2qa1A: 21.43
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.	2HXH_B_TA1B601_1 (TUBULIN BETA CHAIN)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	ASP A 463 LEU A 419 LEU A 452 THR A 455 GLY A 388	None None None None EDO A 604 ( 4.2A)	1.21A	2hxhB-2qa1A: 2.6	2hxhB-2qa1A: 21.43
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.	2P4N_B_TA1B601_1 (TUBULIN BETA CHAIN)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	ASP A 463 LEU A 419 LEU A 452 THR A 455 GLY A 388	None None None None EDO A 604 ( 4.2A)	1.21A	2p4nB-2qa1A: 2.5	2p4nB-2qa1A: 21.43
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_B_BRLB2_1 (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	HIS A 323 TYR A 265 LEU A 272 VAL A 158 LEU A 330	None	1.41A	2prgB-2qa1A: undetectable	2prgB-2qa1A: 17.71
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.	2Q5K_A_AB1A201_1 (PROTEASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 9	ALA A 145 ASP A 2 VAL A 29 VAL A 8 ILE A 6	None None None FAD A 500 (-4.8A) None	1.09A	2q5kA-2qa1A: undetectable	2q5kA-2qa1A: 9.38
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.	2QHC_B_AB1B9001_1 (PROTEASE RETROPEPSIN)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 11	ALA A 145 ASP A 2 VAL A 29 VAL A 8 ILE A 6	None None None FAD A 500 (-4.8A) None	1.04A	2qhcA-2qa1A: undetectable	2qhcA-2qa1A: 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.	2QR2_B_VK3B235_1 (PROTEIN (QUINONE REDUCTASE TYPE 2))	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	4 / 6	PHE A 81 GLY A 284 GLY A 285 ASN A 289	None EDO A 602 (-3.3A) FAD A 500 ( 3.2A) FAD A 500 (-3.5A)	0.87A	2qr2A-2qa1A: undetectable 2qr2B-2qa1A: undetectable	2qr2A-2qa1A: 18.64 2qr2B-2qa1A: 18.64
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.	2WBE_B_TA1B1439_1 (TUBULIN BETA-2B CHAIN)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	ASP A 463 LEU A 419 LEU A 452 THR A 455 GLY A 388	None None None None EDO A 604 ( 4.2A)	1.21A	2wbeB-2qa1A: 2.4	2wbeB-2qa1A: 21.43
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.	2XF3_A_J01A500_1 (ORF12)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 10	VAL A 149 LEU A 21 ARG A 22 GLY A 19 ALA A 107	None	1.09A	2xf3A-2qa1A: undetectable	2xf3A-2qa1A: 26.05
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.	2XFS_A_J01A500_1 (ORF12)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	4 / 8	VAL A 149 ARG A 22 GLY A 19 ALA A 107	None	0.85A	2xfsA-2qa1A: undetectable	2xfsA-2qa1A: 26.05
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.	2XH9_A_J01A1436_1 (ORF12)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	4 / 8	VAL A 149 ARG A 22 GLY A 19 ALA A 107	None	0.85A	2xh9A-2qa1A: undetectable	2xh9A-2qa1A: 25.31
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.	2XRZ_B_ACTB1463_0 (DEOXYRIBODIPYRIMIDIN E PHOTOLYASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 7	VAL A 30 ILE A 114 ALA A 112 VAL A 28 GLY A 14	None	1.18A	2xrzB-2qa1A: undetectable	2xrzB-2qa1A: 21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2ZTH_A_SAMA305_1 (CATECHOL O-METHYLTRANSFERASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	3 / 3	SER A 291 GLU A 100 ASP A 275	FAD A 500 (-3.6A) None FAD A 500 ( 2.9A)	0.85A	2zthA-2qa1A: 2.8	2zthA-2qa1A: 19.88
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.	2ZUL_A_SAMA376_0 (PROBABLE RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	GLY A 14 GLY A 11 LEU A 103 ASP A 152 VAL A 149	None FAD A 500 (-3.5A) None FAD A 500 (-4.9A) None	1.10A	2zulA-2qa1A: 3.2	2zulA-2qa1A: 24.86
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.	3ARU_A_PNXA607_1 (CHITINASE A)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	4 / 8	VAL A 7 GLY A 19 GLY A 111 ALA A 112	None	0.59A	3aruA-2qa1A: undetectable	3aruA-2qa1A: 20.13
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.	3DCO_B_TA1B601_1 (BOVINE BETA TUBULIN)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	ASP A 463 LEU A 419 LEU A 452 THR A 455 GLY A 388	None None None None EDO A 604 ( 4.2A)	1.21A	3dcoB-2qa1A: 2.6	3dcoB-2qa1A: 21.43
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.	3DMH_A_SAMA384_0 (PROBABLE RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	GLY A 14 GLY A 11 LEU A 103 ASP A 152 VAL A 149	None FAD A 500 (-3.5A) None FAD A 500 (-4.9A) None	1.10A	3dmhA-2qa1A: 3.2	3dmhA-2qa1A: 24.86
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.	3EDL_B_TA1B601_1 (BETA TUBULIN)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	ASP A 463 LEU A 419 LEU A 452 THR A 455 GLY A 388	None None None None EDO A 604 ( 4.2A)	1.21A	3edlB-2qa1A: undetectable	3edlB-2qa1A: 21.43
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.	3FC6_C_REAC501_1 (RETINOIC ACID RECEPTOR RXR-ALPHA)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	VAL A 270 ALA A 273 LEU A 298 ALA A 295 VAL A 130	None	0.94A	3fc6C-2qa1A: undetectable	3fc6C-2qa1A: 19.52
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.	3IV6_A_SAMA301_1 (PUTATIVE ZN-DEPENDENT ALCOHOL DEHYDROGENASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	3 / 3	SER A 276 ASP A 152 ASP A 294	None FAD A 500 (-4.9A) None	0.88A	3iv6A-2qa1A: undetectable	3iv6A-2qa1A: 20.73
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.	3IV6_C_SAMC301_1 (PUTATIVE ZN-DEPENDENT ALCOHOL DEHYDROGENASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	3 / 3	SER A 276 ASP A 152 ASP A 294	None FAD A 500 (-4.9A) None	0.86A	3iv6C-2qa1A: 2.9	3iv6C-2qa1A: 20.73
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.	3IZ0_B_TA1B820_1 (BETA TUBULIN, CHAIN B FROM PDB 1JFF)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	ASP A 463 LEU A 419 LEU A 452 THR A 455 GLY A 388	None None None None EDO A 604 ( 4.2A)	1.19A	3iz0B-2qa1A: undetectable	3iz0B-2qa1A: 21.43
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.	3QXV_D_MTXD2000_2 (ANTI-METHOTREXATE CDR1-4 GRAFT VHH)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	3 / 3	LEU A 60 ARG A 390 ASN A 289	None None FAD A 500 (-3.5A)	0.57A	3qxvD-2qa1A: undetectable	3qxvD-2qa1A: 14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3W1W_A_SALA1505_1 (FERROCHELATASE, MITOCHONDRIAL)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 9	VAL A 436 LEU A 416 PRO A 478 TRP A 432 LEU A 481	None	1.49A	3w1wA-2qa1A: 0.0 3w1wB-2qa1A: 0.0	3w1wA-2qa1A: 20.59 3w1wB-2qa1A: 20.59
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.	3ZOA_A_ACRA1587_2 (TREHALOSE SYNTHASE/AMYLASE TRES)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	3 / 3	ARG A 159 PHE A 166 PRO A 167	None	0.71A	3zoaB-2qa1A: undetectable	3zoaB-2qa1A: 23.29
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.	4C9K_B_CAMB424_0 (CYTOCHROME P450)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 9	LEU A 17 LEU A 298 GLY A 299 VAL A 306 VAL A 305	None	1.21A	4c9kB-2qa1A: undetectable	4c9kB-2qa1A: 22.87
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.	4C9N_A_CAMA1419_0 (CYTOCHROME P450)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	4 / 8	LEU A 17 LEU A 298 GLY A 299 VAL A 306	None	0.86A	4c9nA-2qa1A: undetectable	4c9nA-2qa1A: 23.06
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.	4C9N_B_CAMB1420_0 (CYTOCHROME P450)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 10	LEU A 17 LEU A 298 GLY A 299 VAL A 306 VAL A 305	None	1.16A	4c9nB-2qa1A: undetectable	4c9nB-2qa1A: 23.06
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.	4DF3_A_SAMA301_0 (FIBRILLARIN-LIKE RRNA/TRNA 2'-O-METHYLTRANSFERA SE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	GLY A 14 ALA A 18 THR A 108 VAL A 28 ALA A 273	None	1.45A	4df3A-2qa1A: 3.5	4df3A-2qa1A: 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.	4E7B_C_ACTC513_0 (UDP-N-ACETYLGLUCOSAM INE 1-CARBOXYVINYLTRANSF ERASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	3 / 3	TYR A 377 HIS A 465 ARG A 461	None	0.94A	4e7bC-2qa1A: undetectable	4e7bC-2qa1A: 25.88
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.	4FIM_A_CELA711_1 (LACTOTRANSFERRIN)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 9	GLU A 65 GLY A 64 PRO A 61 GLU A 407 GLY A 58	None None None None GOL A 605 ( 4.4A)	1.39A	4fimA-2qa1A: undetectable	4fimA-2qa1A: 20.92
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.	4GC9_A_SAMA401_0 (DIMETHYLADENOSINE TRANSFERASE 1, MITOCHONDRIAL)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	GLY A 136 PRO A 137 VAL A 132 LEU A 31 VAL A 8	None None None None FAD A 500 (-4.8A)	1.01A	4gc9A-2qa1A: undetectable	4gc9A-2qa1A: 21.08
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.	4R38_B_RBFB201_2 (BLUE-LIGHT-ACTIVATED HISTIDINE KINASE 2)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	4 / 8	THR A 50 ILE A 375 GLU A 374 LEU A 329	None	0.94A	4r38B-2qa1A: undetectable	4r38B-2qa1A: 19.95
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.	4XMF_A_HSMA202_1 (NITROPHORIN-7)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	3 / 3	ASP A 294 LEU A 329 GLY A 326	None	0.48A	4xmfA-2qa1A: undetectable	4xmfA-2qa1A: 15.15
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.	5DBY_A_ACTA617_0 (SERUM ALBUMIN)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	3 / 3	TRP A 106 ARG A 57 LEU A 21	None	1.00A	5dbyA-2qa1A: undetectable	5dbyA-2qa1A: 19.50
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.	5KGP_A_GCSA407_1 (PREDICTED ACETYLTRANSFERASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	4 / 8	ARG A 266 GLU A 312 GLY A 129 ASP A 125	None	1.11A	5kgpA-2qa1A: undetectable	5kgpA-2qa1A: 18.95
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.	5KGP_B_GCSB405_1 (PREDICTED ACETYLTRANSFERASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	4 / 8	ARG A 266 GLU A 312 GLY A 129 ASP A 125	None	1.09A	5kgpB-2qa1A: undetectable	5kgpB-2qa1A: 18.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5KOX_A_RFPA502_1 (PENTACHLOROPHENOL 4-MONOOXYGENASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 12	GLY A 45 ILE A 212 PHE A 255 GLY A 284 GLY A 285	None None FAD A 500 ( 4.3A) EDO A 602 (-3.3A) FAD A 500 ( 3.2A)	0.79A	5koxA-2qa1A: 52.4	5koxA-2qa1A: 44.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5TUD_D_ERMD1201_2 (5-HYDROXYTRYPTAMINE RECEPTOR 2B,SOLUBLE CYTOCHROME B562 CHIMERA)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	4 / 6	LEU A 123 VAL A 120 LEU A 148 LEU A 17	None FAD A 500 (-4.1A) None None	0.98A	5tudD-2qa1A: undetectable	5tudD-2qa1A: 23.16
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.	5Z86_B_CHDB302_0 (CYTOCHROME C OXIDASE SUBUNIT 1 CYTOCHROME C OXIDASE SUBUNIT 2 CYTOCHROME C OXIDASE SUBUNIT 6A2, MITOCHONDRIAL)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 11	GLY A 11 GLN A 96 GLU A 100 THR A 38 GLY A 153	FAD A 500 (-3.5A) FAD A 500 (-2.9A) None None FAD A 500 (-3.6A)	1.48A	5z86A-2qa1A: 0.4 5z86B-2qa1A: 0.0 5z86T-2qa1A: 0.0	5z86A-2qa1A: 21.71 5z86B-2qa1A: 18.04 5z86T-2qa1A: 13.22
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.	6AK3_A_P2EA1201_1 (PROSTAGLANDIN E2 RECEPTOR EP3 SUBTYPE,SOLUBLE CYTOCHROME B562)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	4 / 4	PRO A 443 MET A 391 GLY A 464 VAL A 458	None	0.96A	6ak3A-2qa1A: undetectable	6ak3A-2qa1A: 10.97
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.	6AY6_A_VORA501_1 (CYP51, STEROL 14ALPHA-DEMETHYLASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 9	ALA A 467 ALA A 469 THR A 455 LEU A 452 LEU A 417	None	1.39A	6ay6A-2qa1A: undetectable	6ay6A-2qa1A: 20.96
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.	6DJ2_B_AB1B201_0 (HIV-1 PROTEASE)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	5 / 10	ALA A 145 ASP A 2 VAL A 29 VAL A 8 ILE A 6	None None None FAD A 500 (-4.8A) None	1.01A	6dj2A-2qa1A: undetectable	6dj2A-2qa1A: 9.02
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.	6NM4_A_SAMA402_0 (HISTONE-LYSINE N-METHYLTRANSFERASE PRDM9)	2qa1	POLYKETIDE OXYGENASE PGAE (Streptomyces sp. PGA64)	4 / 7	ALA A 18 GLY A 19 LEU A 110 GLY A 303	None	0.85A	6nm4A-2qa1A: undetectable	6nm4A-2qa1A: 15.45

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1HSG_B_MK1B902_2","HIV-1 PROTEASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"ALA A 145;ASP A   2;VAL A  29;VAL A   8;ILE A   6","None;None;None;FAD A 500 (-4.8A);None","1.06A","1hsgB-2qa1A:undetectable","1hsgB-2qa1A:10.00"],["1JFF_B_TA1B601_1","TUBULIN BETA CHAIN","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"ASP A 463;LEU A 419;LEU A 452;THR A 455;GLY A 388","None;None;None;None;EDO A 604 ( 4.2A)","1.21A","1jffB-2qa1A:2.5","1jffB-2qa1A:21.43"],["1QU2_A_MRCA1993_2","ISOLEUCYL-TRNA SYNTHETASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",3,"GLU A  40;TRP A 251;LYS A 140","None","1.32A","1qu2A-2qa1A:undetectable","1qu2A-2qa1A:19.50"],["1SG9_A_SAMA301_1","HEMK PROTEIN","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",4,"THR A 449;GLY A  82;ASP A  80;ALA A 363","None","1.24A","1sg9A-2qa1A:2.8","1sg9A-2qa1A:21.49"],["2HXF_B_TA1B601_1","TUBULIN BETA CHAIN","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"ASP A 463;LEU A 419;LEU A 452;THR A 455;GLY A 388","None;None;None;None;EDO A 604 ( 4.2A)","1.21A","2hxfB-2qa1A:2.6","2hxfB-2qa1A:21.43"],["2HXH_B_TA1B601_1","TUBULIN BETA CHAIN","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"ASP A 463;LEU A 419;LEU A 452;THR A 455;GLY A 388","None;None;None;None;EDO A 604 ( 4.2A)","1.21A","2hxhB-2qa1A:2.6","2hxhB-2qa1A:21.43"],["2P4N_B_TA1B601_1","TUBULIN BETA CHAIN","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"ASP A 463;LEU A 419;LEU A 452;THR A 455;GLY A 388","None;None;None;None;EDO A 604 ( 4.2A)","1.21A","2p4nB-2qa1A:2.5","2p4nB-2qa1A:21.43"],["2PRG_B_BRLB2_1","PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"HIS A 323;TYR A 265;LEU A 272;VAL A 158;LEU A 330","None","1.41A","2prgB-2qa1A:undetectable","2prgB-2qa1A:17.71"],["2Q5K_A_AB1A201_1","PROTEASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"ALA A 145;ASP A   2;VAL A  29;VAL A   8;ILE A   6","None;None;None;FAD A 500 (-4.8A);None","1.09A","2q5kA-2qa1A:undetectable","2q5kA-2qa1A:9.38"],["2QHC_B_AB1B9001_1","PROTEASE RETROPEPSIN;PROTEASE RETROPEPSIN","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"ALA A 145;ASP A   2;VAL A  29;VAL A   8;ILE A   6","None;None;None;FAD A 500 (-4.8A);None","1.04A","2qhcA-2qa1A:undetectable","2qhcA-2qa1A:9.58"],["2QR2_B_VK3B235_1","PROTEIN (QUINONE REDUCTASE TYPE 2);PROTEIN (QUINONE REDUCTASE TYPE 2)","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",4,"PHE A  81;GLY A 284;GLY A 285;ASN A 289","None;EDO A 602 (-3.3A);FAD A 500 ( 3.2A);FAD A 500 (-3.5A)","0.87A","2qr2A-2qa1A:undetectable;2qr2B-2qa1A:undetectable","2qr2A-2qa1A:18.64;2qr2B-2qa1A:18.64"],["2WBE_B_TA1B1439_1","TUBULIN BETA-2B CHAIN","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"ASP A 463;LEU A 419;LEU A 452;THR A 455;GLY A 388","None;None;None;None;EDO A 604 ( 4.2A)","1.21A","2wbeB-2qa1A:2.4","2wbeB-2qa1A:21.43"],["2XF3_A_J01A500_1","ORF12","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"VAL A 149;LEU A  21;ARG A  22;GLY A  19;ALA A 107","None","1.09A","2xf3A-2qa1A:undetectable","2xf3A-2qa1A:26.05"],["2XFS_A_J01A500_1","ORF12","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",4,"VAL A 149;ARG A  22;GLY A  19;ALA A 107","None","0.85A","2xfsA-2qa1A:undetectable","2xfsA-2qa1A:26.05"],["2XH9_A_J01A1436_1","ORF12","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",4,"VAL A 149;ARG A  22;GLY A  19;ALA A 107","None","0.85A","2xh9A-2qa1A:undetectable","2xh9A-2qa1A:25.31"],["2XRZ_B_ACTB1463_0","DEOXYRIBODIPYRIMIDINE PHOTOLYASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"VAL A  30;ILE A 114;ALA A 112;VAL A  28;GLY A  14","None","1.18A","2xrzB-2qa1A:undetectable","2xrzB-2qa1A:21.74"],["2ZTH_A_SAMA305_1","CATECHOL O-METHYLTRANSFERASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",3,"SER A 291;GLU A 100;ASP A 275","FAD A 500 (-3.6A);None;FAD A 500 ( 2.9A)","0.85A","2zthA-2qa1A:2.8","2zthA-2qa1A:19.88"],["2ZUL_A_SAMA376_0","PROBABLE RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"GLY A  14;GLY A  11;LEU A 103;ASP A 152;VAL A 149","None;FAD A 500 (-3.5A);None;FAD A 500 (-4.9A);None","1.10A","2zulA-2qa1A:3.2","2zulA-2qa1A:24.86"],["3ARU_A_PNXA607_1","CHITINASE A","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",4,"VAL A   7;GLY A  19;GLY A 111;ALA A 112","None","0.59A","3aruA-2qa1A:undetectable","3aruA-2qa1A:20.13"],["3DCO_B_TA1B601_1","BOVINE BETA TUBULIN","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"ASP A 463;LEU A 419;LEU A 452;THR A 455;GLY A 388","None;None;None;None;EDO A 604 ( 4.2A)","1.21A","3dcoB-2qa1A:2.6","3dcoB-2qa1A:21.43"],["3DMH_A_SAMA384_0","PROBABLE RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"GLY A  14;GLY A  11;LEU A 103;ASP A 152;VAL A 149","None;FAD A 500 (-3.5A);None;FAD A 500 (-4.9A);None","1.10A","3dmhA-2qa1A:3.2","3dmhA-2qa1A:24.86"],["3EDL_B_TA1B601_1","BETA TUBULIN","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"ASP A 463;LEU A 419;LEU A 452;THR A 455;GLY A 388","None;None;None;None;EDO A 604 ( 4.2A)","1.21A","3edlB-2qa1A:undetectable","3edlB-2qa1A:21.43"],["3FC6_C_REAC501_1","RETINOIC ACID RECEPTOR RXR-ALPHA","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"VAL A 270;ALA A 273;LEU A 298;ALA A 295;VAL A 130","None","0.94A","3fc6C-2qa1A:undetectable","3fc6C-2qa1A:19.52"],["3IV6_A_SAMA301_1","PUTATIVE ZN-DEPENDENT ALCOHOL DEHYDROGENASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",3,"SER A 276;ASP A 152;ASP A 294","None;FAD A 500 (-4.9A);None","0.88A","3iv6A-2qa1A:undetectable","3iv6A-2qa1A:20.73"],["3IV6_C_SAMC301_1","PUTATIVE ZN-DEPENDENT ALCOHOL DEHYDROGENASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",3,"SER A 276;ASP A 152;ASP A 294","None;FAD A 500 (-4.9A);None","0.86A","3iv6C-2qa1A:2.9","3iv6C-2qa1A:20.73"],["3IZ0_B_TA1B820_1","BETA TUBULIN, CHAIN B FROM PDB 1JFF","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"ASP A 463;LEU A 419;LEU A 452;THR A 455;GLY A 388","None;None;None;None;EDO A 604 ( 4.2A)","1.19A","3iz0B-2qa1A:undetectable","3iz0B-2qa1A:21.43"],["3QXV_D_MTXD2000_2","ANTI-METHOTREXATE CDR1-4 GRAFT VHH","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",3,"LEU A  60;ARG A 390;ASN A 289","None;None;FAD A 500 (-3.5A)","0.57A","3qxvD-2qa1A:undetectable","3qxvD-2qa1A:14.56"],["3W1W_A_SALA1505_1","FERROCHELATASE, MITOCHONDRIAL;FERROCHELATASE, MITOCHONDRIAL","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"VAL A 436;LEU A 416;PRO A 478;TRP A 432;LEU A 481","None","1.49A","3w1wA-2qa1A:0.0;3w1wB-2qa1A:0.0","3w1wA-2qa1A:20.59;3w1wB-2qa1A:20.59"],["3ZOA_A_ACRA1587_2","TREHALOSE SYNTHASE\/AMYLASE TRES;TREHALOSE SYNTHASE\/AMYLASE TRES","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",3,"ARG A 159;PHE A 166;PRO A 167","None","0.71A","3zoaB-2qa1A:undetectable","3zoaB-2qa1A:23.29"],["4C9K_B_CAMB424_0","CYTOCHROME P450","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"LEU A  17;LEU A 298;GLY A 299;VAL A 306;VAL A 305","None","1.21A","4c9kB-2qa1A:undetectable","4c9kB-2qa1A:22.87"],["4C9N_A_CAMA1419_0","CYTOCHROME P450","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",4,"LEU A  17;LEU A 298;GLY A 299;VAL A 306","None","0.86A","4c9nA-2qa1A:undetectable","4c9nA-2qa1A:23.06"],["4C9N_B_CAMB1420_0","CYTOCHROME P450","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"LEU A  17;LEU A 298;GLY A 299;VAL A 306;VAL A 305","None","1.16A","4c9nB-2qa1A:undetectable","4c9nB-2qa1A:23.06"],["4DF3_A_SAMA301_0","FIBRILLARIN-LIKE RRNA\/TRNA 2'-O-METHYLTRANSFERASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"GLY A  14;ALA A  18;THR A 108;VAL A  28;ALA A 273","None","1.45A","4df3A-2qa1A:3.5","4df3A-2qa1A:20.30"],["4E7B_C_ACTC513_0","UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",3,"TYR A 377;HIS A 465;ARG A 461","None","0.94A","4e7bC-2qa1A:undetectable","4e7bC-2qa1A:25.88"],["4FIM_A_CELA711_1","LACTOTRANSFERRIN","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"GLU A  65;GLY A  64;PRO A  61;GLU A 407;GLY A  58","None;None;None;None;GOL A 605 ( 4.4A)","1.39A","4fimA-2qa1A:undetectable","4fimA-2qa1A:20.92"],["4GC9_A_SAMA401_0","DIMETHYLADENOSINE TRANSFERASE 1, MITOCHONDRIAL","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"GLY A 136;PRO A 137;VAL A 132;LEU A  31;VAL A   8","None;None;None;None;FAD A 500 (-4.8A)","1.01A","4gc9A-2qa1A:undetectable","4gc9A-2qa1A:21.08"],["4R38_B_RBFB201_2","BLUE-LIGHT-ACTIVATED HISTIDINE KINASE 2","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",4,"THR A  50;ILE A 375;GLU A 374;LEU A 329","None","0.94A","4r38B-2qa1A:undetectable","4r38B-2qa1A:19.95"],["4XMF_A_HSMA202_1","NITROPHORIN-7","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",3,"ASP A 294;LEU A 329;GLY A 326","None","0.48A","4xmfA-2qa1A:undetectable","4xmfA-2qa1A:15.15"],["5DBY_A_ACTA617_0","SERUM ALBUMIN","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",3,"TRP A 106;ARG A  57;LEU A  21","None","1.00A","5dbyA-2qa1A:undetectable","5dbyA-2qa1A:19.50"],["5KGP_A_GCSA407_1","PREDICTED ACETYLTRANSFERASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",4,"ARG A 266;GLU A 312;GLY A 129;ASP A 125","None","1.11A","5kgpA-2qa1A:undetectable","5kgpA-2qa1A:18.95"],["5KGP_B_GCSB405_1","PREDICTED ACETYLTRANSFERASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",4,"ARG A 266;GLU A 312;GLY A 129;ASP A 125","None","1.09A","5kgpB-2qa1A:undetectable","5kgpB-2qa1A:18.95"],["5KOX_A_RFPA502_1","PENTACHLOROPHENOL 4-MONOOXYGENASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"GLY A  45;ILE A 212;PHE A 255;GLY A 284;GLY A 285","None;None;FAD A 500 ( 4.3A);EDO A 602 (-3.3A);FAD A 500 ( 3.2A)","0.79A","5koxA-2qa1A:52.4","5koxA-2qa1A:44.25"],["5TUD_D_ERMD1201_2","5-HYDROXYTRYPTAMINE RECEPTOR 2B,SOLUBLE CYTOCHROME B562 CHIMERA","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",4,"LEU A 123;VAL A 120;LEU A 148;LEU A  17","None;FAD A 500 (-4.1A);None;None","0.98A","5tudD-2qa1A:undetectable","5tudD-2qa1A:23.16"],["5Z86_B_CHDB302_0","CYTOCHROME C OXIDASE SUBUNIT 1;CYTOCHROME C OXIDASE SUBUNIT 2;CYTOCHROME C OXIDASE SUBUNIT 6A2, MITOCHONDRIAL","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"GLY A  11;GLN A  96;GLU A 100;THR A  38;GLY A 153","FAD A 500 (-3.5A);FAD A 500 (-2.9A);None;None;FAD A 500 (-3.6A)","1.48A","5z86A-2qa1A:0.4;5z86B-2qa1A:0.0;5z86T-2qa1A:0.0","5z86A-2qa1A:21.71;5z86B-2qa1A:18.04;5z86T-2qa1A:13.22"],["6AK3_A_P2EA1201_1","PROSTAGLANDIN E2 RECEPTOR EP3 SUBTYPE,SOLUBLE CYTOCHROME B562","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",4,"PRO A 443;MET A 391;GLY A 464;VAL A 458","None","0.96A","6ak3A-2qa1A:undetectable","6ak3A-2qa1A:10.97"],["6AY6_A_VORA501_1","CYP51, STEROL 14ALPHA-DEMETHYLASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"ALA A 467;ALA A 469;THR A 455;LEU A 452;LEU A 417","None","1.39A","6ay6A-2qa1A:undetectable","6ay6A-2qa1A:20.96"],["6DJ2_B_AB1B201_0","HIV-1 PROTEASE","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",5,"ALA A 145;ASP A   2;VAL A  29;VAL A   8;ILE A   6","None;None;None;FAD A 500 (-4.8A);None","1.01A","6dj2A-2qa1A:undetectable","6dj2A-2qa1A:9.02"],["6NM4_A_SAMA402_0","HISTONE-LYSINE N-METHYLTRANSFERASE PRDM9","2qa1","POLYKETIDE OXYGENASE PGAE","Streptomyces sp. PGA64",4,"ALA A  18;GLY A  19;LEU A 110;GLY A 303","None","0.85A","6nm4A-2qa1A:undetectable","6nm4A-2qa1A:15.45"]]