SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BMA'

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.	1M4I_A_KANA500_1 (AMINOGLYCOSIDE 2'-N-ACETYLTRANSFERA SE)	5esv	CH03 HEAVY CHAIN (Homo sapiens)	4 / 8	ASP A 100 GLY A 100 ASP A 56 THR A 100	None None BMA E 417 (-3.1A) NAG E 416 ( 4.7A)	0.90A	1m4iA-5esvA: undetectable	1m4iA-5esvA: 20.00
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.	1QU2_A_MRCA1993_2 (ISOLEUCYL-TRNA SYNTHETASE)	4pfy	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	3 / 3	GLU A 152 TRP A 129 LYS A 502	BMA A 603 ( 3.2A) BMA A 603 ( 4.2A) None	1.39A	1qu2A-4pfyA: undetectable	1qu2A-4pfyA: 20.47
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.	1RMT_B_ADNB1502_1 (CLASS B ACID PHOSPHATASE)	1zpu	IRON TRANSPORT MULTICOPPER OXIDASE FET3 (Saccharomyces cerevisiae)	4 / 7	PHE A 148 GLU A 155 TYR A 152 LEU A 210	None BMA A3001 (-4.2A) None None	0.86A	1rmtB-1zpuA: undetectable	1rmtB-1zpuA: 18.98
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.	1T6Z_A_RBFA296_1 (RIBOFLAVIN KINASE/FMN ADENYLYLTRANSFERASE)	5nbs	BETA-GLUCOSIDASE (Neurospora crassa)	5 / 11	VAL A 530 ASN A 478 GLU A 525 GLU A 418 ILE A 484	None None BMA A1134 (-3.6A) None None	1.47A	1t6zA-5nbsA: undetectable	1t6zA-5nbsA: 13.31
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.	1W5U_B_DVAB8_0 (GRAMICIDIN D)	2zbl	PUTATIVE ISOMERASE (Salmonella enterica)	3 / 3	VAL A 314 VAL A 299 TRP A 316	None None BMA A 501 (-3.8A)	0.85A	1w5uA-2zblA: undetectable 1w5uB-2zblA: undetectable	1w5uA-2zblA: 4.55 1w5uB-2zblA: 4.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1WG8_A_SAMA3142_0 (PREDICTED S-ADENOSYLMETHIONINE -DEPENDENT METHYLTRANSFERASE)	3wkh	CELLOBIOSE 2-EPIMERASE (Rhodothermus marinus)	5 / 12	GLY A 310 GLY A 313 PHE A 244 SER A 256 HIS A 259	None None None None BMA A 502 (-4.2A)	1.20A	1wg8A-3wkhA: undetectable	1wg8A-3wkhA: 24.58
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.	1XVA_A_ACTA294_0 (GLYCINE N-METHYLTRANSFERASE)	3wkh	CELLOBIOSE 2-EPIMERASE (Rhodothermus marinus)	4 / 5	ILE A 261 LEU A 240 ALA A 263 GLU A 262	None None None BMA A 502 (-3.5A)	1.13A	1xvaA-3wkhA: undetectable 1xvaB-3wkhA: undetectable	1xvaA-3wkhA: 22.25 1xvaB-3wkhA: 22.25
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.	1XVA_B_ACTB294_0 (GLYCINE N-METHYLTRANSFERASE)	3wkh	CELLOBIOSE 2-EPIMERASE (Rhodothermus marinus)	4 / 6	ALA A 263 GLU A 262 ILE A 261 LEU A 240	None BMA A 502 (-3.5A) None None	0.82A	1xvaA-3wkhA: undetectable 1xvaB-3wkhA: undetectable	1xvaA-3wkhA: 22.25 1xvaB-3wkhA: 22.25
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.	1YA4_B_CTXB2_2 (CES1 PROTEIN)	5idb	NATTERIN-3 (Crassostrea gigas)	4 / 4	LEU B 48 PRO B 41 ILE B 111 LEU B 28	BMA B1001 ( 4.9A) None None None	1.13A	1ya4B-5idbB: undetectable	1ya4B-5idbB: 14.34
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.	1YA4_C_CTXC3_2 (CES1 PROTEIN)	5idb	NATTERIN-3 (Crassostrea gigas)	4 / 4	LEU B 48 PRO B 41 ILE B 111 LEU B 28	BMA B1001 ( 4.9A) None None None	1.08A	1ya4C-5idbB: undetectable	1ya4C-5idbB: 14.34
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.	2X45_A_HSMA1162_1 (ALLERGEN ARG R 1)	2zbl	PUTATIVE ISOMERASE (Salmonella enterica)	4 / 4	GLU A 179 ASP A 380 HIS A 383 GLU A 251	None BMA A 501 ( 4.5A) BMA A 501 (-3.9A) BMA A 501 (-2.8A)	1.27A	2x45A-2zblA: 0.0	2x45A-2zblA: 14.18
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.	2Y7H_C_SAMC530_1 (TYPE I RESTRICTION ENZYME ECOKI M PROTEIN)	4cd8	ENDO-BETA-1,4-MANNAN ASE (Alicyclobacillus acidocaldarius)	3 / 3	TYR A 203 GLU A 151 ASN A 97	MVL A 400 (-3.8A) MVL A 400 (-2.6A) BMA A 401 (-3.2A)	0.95A	2y7hC-4cd8A: undetectable	2y7hC-4cd8A: 18.11
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.	2Y7H_C_SAMC530_1 (TYPE I RESTRICTION ENZYME ECOKI M PROTEIN)	5yll	BETA-1,4-MANNANASE (Amphibacillus xylanus)	3 / 3	TYR B 195 GLU B 143 ASN B 89	BMA B 401 (-4.5A) BMA B 401 (-2.6A) BMA B 402 (-3.0A)	0.96A	2y7hC-5yllB: undetectable	2y7hC-5yllB: undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2YA7_A_ZMRA1776_2 (NEURAMINIDASE A)	4cd8	ENDO-BETA-1,4-MANNAN ASE (Alicyclobacillus acidocaldarius)	4 / 6	ARG A 237 ASP A 296 LEU A 287 GLU A 282	None None None BMA A 401 (-2.7A)	1.06A	2ya7A-4cd8A: undetectable	2ya7A-4cd8A: 20.16
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.	3AIC_A_ACRA5044_2 (GLUCOSYLTRANSFERASE- SI)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	3 / 3	LEU A 56 TRP A 544 TYR A 30	None BMA A 604 ( 4.0A) None	0.89A	3aicA-4pfwA: undetectable	3aicA-4pfwA: 19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3AIC_B_ACRB5044_2 (GLUCOSYLTRANSFERASE- SI)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	3 / 3	LEU A 56 TRP A 544 TYR A 30	None BMA A 604 ( 4.0A) None	0.89A	3aicB-4pfwA: undetectable	3aicB-4pfwA: 19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3AIC_E_ACRE5044_2 (GLUCOSYLTRANSFERASE- SI)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	3 / 3	LEU A 56 TRP A 544 TYR A 30	None BMA A 604 ( 4.0A) None	0.86A	3aicE-4pfwA: undetectable	3aicE-4pfwA: 19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3AIC_F_ACRF5044_2 (GLUCOSYLTRANSFERASE- SI)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	3 / 3	LEU A 56 TRP A 544 TYR A 30	None BMA A 604 ( 4.0A) None	0.81A	3aicF-4pfwA: undetectable	3aicF-4pfwA: 19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3AIC_G_ACRG5044_2 (GLUCOSYLTRANSFERASE- SI)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	3 / 3	LEU A 56 TRP A 544 TYR A 30	None BMA A 604 ( 4.0A) None	0.87A	3aicG-4pfwA: undetectable	3aicG-4pfwA: 19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3AIC_H_ACRH5044_2 (GLUCOSYLTRANSFERASE- SI)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	3 / 3	LEU A 56 TRP A 544 TYR A 30	None BMA A 604 ( 4.0A) None	0.87A	3aicH-4pfwA: undetectable	3aicH-4pfwA: 19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3B6H_A_MXDA551_1 (PROSTACYCLIN SYNTHASE)	4pfy	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	4 / 6	TYR A 418 ALA A 419 LEU A 422 ASN A 276	None None None BMA A 607 ( 4.9A)	0.81A	3b6hA-4pfyA: undetectable	3b6hA-4pfyA: 20.95
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.	3B6H_B_MXDB551_1 (PROSTACYCLIN SYNTHASE)	4pfy	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	4 / 6	TYR A 418 ALA A 419 LEU A 422 ASN A 276	None None None BMA A 607 ( 4.9A)	0.81A	3b6hB-4pfyA: undetectable	3b6hB-4pfyA: 20.95
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.	3BCR_A_AZZA940_1 (GLYCOGEN PHOSPHORYLASE, MUSCLE FORM)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	4 / 5	ASN A 432 PHE A 281 ALA A 433 GLY A 435	None None BMA A 606 ( 4.2A) BMA A 605 ( 3.6A)	1.21A	3bcrA-4pfwA: undetectable	3bcrA-4pfwA: 20.07
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.	3COT_A_STRA1501_1 (3-OXO-5-BETA-STEROID 4-DEHYDROGENASE)	5yll	BETA-1,4-MANNANASE (Amphibacillus xylanus)	4 / 7	TYR B 122 TYR B 126 TRP B 273 TRP B 11	None None BMA B 401 (-3.5A) BMA B 402 (-4.1A)	1.45A	3cotA-5yllB: 9.6	3cotA-5yllB: 10.98
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.	3D2T_A_1FLA502_1 (TRANSTHYRETIN)	1nmb	N9 NEURAMINIDASE (Influenza A virus)	4 / 7	LEU N 377 LEU N 362 SER N 353 VAL N 424	BMA N 471 (-4.9A) None None None	0.99A	3d2tA-1nmbN: undetectable	3d2tA-1nmbN: 14.45
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.	3EBZ_B_017B201_1 (PROTEASE)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	5 / 11	ALA A 393 ASP A 389 GLY A 279 ILE A 509 ILE A 307	None BMA A 607 ( 2.9A) None None None	0.88A	3ebzA-4pfwA: undetectable	3ebzA-4pfwA: 10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3HRD_E_NIOE5660_1 (NICOTINATE DEHYDROGENASE LARGE MOLYBDOPTERIN SUBUNIT NICOTINATE DEHYDROGENASE MEDIUM MOLYBDOPTERIN SUBUNIT)	5swi	SUGAR HYDROLASE (Streptococcus pneumoniae)	3 / 3	GLU B 489 GLU B 541 TRP B 483	BMA B 706 (-4.3A) BMA B 706 ( 2.8A) None	1.32A	3hrdA-5swiB: undetectable 3hrdE-5swiB: undetectable 3hrdF-5swiB: undetectable	3hrdA-5swiB: 19.22 3hrdE-5swiB: 19.22 3hrdF-5swiB: 20.03
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.	3OY4_B_017B200_1 (HIV-1 PROTEASE)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	5 / 11	ALA A 393 ASP A 389 GLY A 279 ILE A 509 ILE A 307	None BMA A 607 ( 2.9A) None None None	0.92A	3oy4A-4pfwA: undetectable	3oy4A-4pfwA: 11.13
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.	3PGY_B_GLYB509_0 (SERINE HYDROXYMETHYLTRANSFE RASE)	4pfy	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	4 / 4	PHE A 434 THR A 435 LEU A 422 TYR A 423	BMA A 606 ( 3.5A) BMA A 605 ( 4.7A) None BMA A 605 ( 4.9A)	1.32A	3pgyB-4pfyA: undetectable	3pgyB-4pfyA: 21.69
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.	3S45_B_478B201_1 (PROTEASE)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	5 / 9	ALA A 393 ASP A 389 GLY A 279 ILE A 509 ILE A 307	None BMA A 607 ( 2.9A) None None None	0.92A	3s45A-4pfwA: undetectable	3s45A-4pfwA: 10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3U5J_A_08HA1_1 (BROMODOMAIN-CONTAINI NG PROTEIN 4)	4r9g	MBP1 (Caldanaerobius polysaccharolyti cus)	4 / 7	TRP A 25 PRO A 24 LEU A 21 LEU A 82	BMA A 503 ( 4.1A) None None None	0.89A	3u5jA-4r9gA: undetectable	3u5jA-4r9gA: 14.04
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.	3U5K_B_08JB2_1 (BROMODOMAIN-CONTAINI NG PROTEIN 4)	4r9g	MBP1 (Caldanaerobius polysaccharolyti cus)	4 / 7	TRP A 25 PRO A 24 LEU A 21 LEU A 82	BMA A 503 ( 4.1A) None None None	0.94A	3u5kB-4r9gA: undetectable	3u5kB-4r9gA: 14.04
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.	3V3N_B_MIYB2001_1 (TETX2 PROTEIN)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	4 / 8	GLN A 521 GLY A 241 GLY A 32 ASN A 231	None None None BMA A 607 ( 2.7A)	0.93A	3v3nB-4pfwA: undetectable	3v3nB-4pfwA: 20.71
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.	3V3N_C_MIYC2001_1 (TETX2 PROTEIN)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	4 / 8	GLN A 521 GLY A 241 GLY A 32 ASN A 231	None None None BMA A 607 ( 2.7A)	0.94A	3v3nC-4pfwA: undetectable	3v3nC-4pfwA: 20.71
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.	4CEV_C_GAIC409_0 (PROTEIN (ARGINASE))	4udj	UHGB_MP (uncultured organism)	4 / 6	MET A 67 ASP A 61 ARG A 59 HIS A 70	None None BMA A 329 (-4.0A) None	1.49A	4cevA-4udjA: undetectable 4cevC-4udjA: undetectable	4cevA-4udjA: 22.28 4cevC-4udjA: 22.28
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.	4DQB_B_017B101_1 (ASPARTYL PROTEASE)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	5 / 12	ALA A 393 ASP A 389 GLY A 279 ILE A 509 ILE A 307	None BMA A 607 ( 2.9A) None None None	0.93A	4dqbA-4pfwA: undetectable	4dqbA-4pfwA: 11.36
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.	4DQC_A_017A101_1 (ASPARTYL PROTEASE)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	5 / 10	ALA A 393 ASP A 389 GLY A 279 ILE A 509 ILE A 307	None BMA A 607 ( 2.9A) None None None	0.93A	4dqcA-4pfwA: undetectable	4dqcA-4pfwA: 10.99
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.	4DQE_B_017B101_1 (ASPARTYL PROTEASE)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	5 / 11	ALA A 393 ASP A 389 GLY A 279 ILE A 509 ILE A 307	None BMA A 607 ( 2.9A) None None None	0.94A	4dqeA-4pfwA: undetectable	4dqeA-4pfwA: 10.99
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.	4DQF_B_017B101_1 (ASPARTYL PROTEASE)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	5 / 12	ALA A 393 ASP A 389 GLY A 279 ILE A 509 ILE A 307	None BMA A 607 ( 2.9A) None None None	0.94A	4dqfA-4pfwA: undetectable	4dqfA-4pfwA: 10.99
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.	4DQH_B_017B101_1 (WILD-TYPE HIV-1 PROTEASE DIMER)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	5 / 11	ALA A 393 ASP A 389 GLY A 279 ILE A 509 ILE A 307	None BMA A 607 ( 2.9A) None None None	0.94A	4dqhA-4pfwA: undetectable	4dqhA-4pfwA: 11.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4E7B_C_ACTC513_0 (UDP-N-ACETYLGLUCOSAM INE 1-CARBOXYVINYLTRANSF ERASE)	3wkh	CELLOBIOSE 2-EPIMERASE (Rhodothermus marinus)	3 / 3	TYR A 389 HIS A 390 ARG A 393	None BMA A 502 ( 4.0A) None	0.95A	4e7bC-3wkhA: undetectable	4e7bC-3wkhA: 24.47
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.	4G0V_A_MIXA1301_1 (DNA TOPOISOMERASE 2-BETA)	4r9g	MBP1 (Caldanaerobius polysaccharolyti cus)	4 / 7	ARG A 139 GLY A 192 ASN A 391 GLN A 273	BMA A 502 (-4.0A) None MAN A 501 ( 4.9A) None	1.09A	4g0vA-4r9gA: undetectable	4g0vA-4r9gA: 20.78
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.	4IIL_A_RBFA401_2 (MEMBRANE LIPOPROTEIN TPN38(B))	4pfy	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	4 / 8	PRO A 125 VAL A 126 ILE A 121 MET A 156	BMA A 603 ( 4.2A) BMA A 603 ( 4.6A) None BMA A 603 ( 3.8A)	1.07A	4iilA-4pfyA: 2.4	4iilA-4pfyA: 20.51
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.	4J7X_B_SASB804_1 (SEPIAPTERIN REDUCTASE)	3oeb	S-LAYER ASSOCIATED MULTIDOMAIN ENDOGLUCANASE (Caldanaerobius polysaccharolyti cus)	5 / 12	LEU A 124 PHE A 76 GLN A 21 ALA A 45 GLY A 41	None None BMA A 503 (-3.3A) None None	1.15A	4j7xB-3oebA: undetectable	4j7xB-3oebA: 19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4L1A_A_AB1A101_2 (MDR769 HIV-1 PROTEASE)	1qon	ACETYLCHOLINESTERASE (Drosophila melanogaster)	4 / 6	ARG A 70 ASN A 88 GLY A 61 THR A 65	None None BMA A 996 (-2.6A) None	1.09A	4l1aB-1qonA: undetectable	4l1aB-1qonA: 11.05
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.	4NJT_D_017D101_1 (PROTEASE)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	5 / 11	ALA A 393 ASP A 389 GLY A 279 ILE A 509 ILE A 307	None BMA A 607 ( 2.9A) None None None	0.94A	4njtC-4pfwA: undetectable	4njtC-4pfwA: 10.69
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.	4OBW_C_SAMC601_0 (2-METHOXY-6-POLYPREN YL-1,4-BENZOQUINOL METHYLASE, MITOCHONDRIAL)	1szn	ALPHA-GALACTOSIDASE (Trichoderma reesei)	5 / 12	GLY A 317 GLY A 344 SER A 314 ASN A 311 PHE A 310	NAG A 701 ( 4.3A) None BMA A 705 ( 4.6A) None None	1.26A	4obwC-1sznA: undetectable	4obwC-1sznA: 19.37
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.	4QB9_A_PARA500_1 (ENHANCED INTRACELLULAR SURVIVAL PROTEIN)	6byi	BETA-MANNOSIDASE (Xanthomonas citri)	5 / 10	SER A 680 SER A 677 ASP A 215 TYR A 576 GLY A 577	None None BMA A 901 (-2.9A) None None	1.39A	4qb9A-6byiA: undetectable	4qb9A-6byiA: undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4R3A_B_RBFB402_2 (BLUE-LIGHT-ACTIVATED HISTIDINE KINASE 2)	5no7	LYTIC POLYSACCHARIDE MONOOXYGENASE (Trametes cinnabarina)	5 / 12	ALA A 242 ILE A 241 ILE A 165 GLY A 172 GLN A 174	BMA A 321 ( 4.4A) MAN A 322 (-4.7A) None None None	0.99A	4r3aB-5no7A: undetectable	4r3aB-5no7A: 13.16
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.	4TWD_C_377C401_1 (CYS-LOOP LIGAND-GATED ION CHANNEL)	2zbl	PUTATIVE ISOMERASE (Salmonella enterica)	4 / 6	TYR A 111 GLU A 251 TYR A 382 LEU A 118	BMA A 501 (-4.4A) BMA A 501 (-2.8A) None None	1.24A	4twdB-2zblA: 2.1 4twdC-2zblA: 2.0	4twdB-2zblA: 21.24 4twdC-2zblA: 21.24
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.	4UCK_B_SAMB2409_0 (RNA-DIRECTED RNA POLYMERASE L)	4pfw	ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN (Thermotoga maritima)	5 / 12	THR A 547 GLY A 540 SER A 33 LEU A 34 ALA A 542	None None None None BMA A 605 ( 4.4A)	1.11A	4uckB-4pfwA: undetectable	4uckB-4pfwA: 21.59
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.	4XT7_A_TOPA302_1 (RV2671)	2bvt	BETA-1,4-MANNANASE (Cellulomonas fimi)	5 / 11	THR A 49 GLY A 43 ASP A 326 PHE A 325 GLU A 78	None None None BMA A 501 (-3.9A) BMA A 500 ( 3.5A)	1.36A	4xt7A-2bvtA: undetectable	4xt7A-2bvtA: 23.21
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.	5B6I_A_ADNA302_1 (FLUORINASE)	1rmg	RHAMNOGALACTURONASE A (Aspergillus aculeatus)	4 / 7	THR A 367 TYR A 369 THR A 370 SER A 352	MAN A 447 (-2.4A) None BMA A 427 (-2.2A) BMA A 427 ( 4.3A)	1.14A	5b6iA-1rmgA: undetectable	5b6iA-1rmgA: 23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5B6I_B_ADNB302_1 (FLUORINASE)	1rmg	RHAMNOGALACTURONASE A (Aspergillus aculeatus)	4 / 6	THR A 367 TYR A 369 THR A 370 SER A 352	MAN A 447 (-2.4A) None BMA A 427 (-2.2A) BMA A 427 ( 4.3A)	1.15A	5b6iB-1rmgA: 0.0	5b6iB-1rmgA: 23.46
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.	5CDN_G_EVPG2101_1 (DNA GYRASE SUBUNIT A DNA GYRASE SUBUNIT B,DNA GYRASE SUBUNIT B)	1qon	ACETYLCHOLINESTERASE (Drosophila melanogaster)	4 / 6	SER A 90 GLU A 91 GLY A 61 GLY A 31	None None BMA A 996 (-2.6A) None	0.77A	5cdnA-1qonA: undetectable 5cdnB-1qonA: undetectable	5cdnA-1qonA: 22.73 5cdnB-1qonA: 14.76
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.	5CDN_N_EVPN2101_1 (DNA GYRASE SUBUNIT A DNA GYRASE SUBUNIT B,DNA GYRASE SUBUNIT B)	1qon	ACETYLCHOLINESTERASE (Drosophila melanogaster)	4 / 6	SER A 90 GLU A 91 GLY A 61 GLY A 31	None None BMA A 996 (-2.6A) None	0.78A	5cdnR-1qonA: undetectable 5cdnS-1qonA: undetectable	5cdnR-1qonA: 22.73 5cdnS-1qonA: 14.76
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.	5DQF_A_CZEA613_1 (SERUM ALBUMIN)	2zbl	PUTATIVE ISOMERASE (Salmonella enterica)	5 / 9	ARG A 55 LEU A 118 GLY A 119 LEU A 385 GLU A 179	BMA A 501 (-2.7A) None None None None	1.13A	5dqfA-2zblA: undetectable	5dqfA-2zblA: 21.79
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.	5I71_A_68PA701_1 (SODIUM-DEPENDENT SEROTONIN TRANSPORTER)	4r9g	MBP1 (Caldanaerobius polysaccharolyti cus)	5 / 12	ASP A 305 ILE A 344 ALA A 345 GLY A 270 VAL A 365	BMA A 502 ( 4.7A) None None None None	1.05A	5i71A-4r9gA: undetectable	5i71A-4r9gA: 19.38
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.	5I75_A_68PA701_1 (SODIUM-DEPENDENT SEROTONIN TRANSPORTER)	4r9g	MBP1 (Caldanaerobius polysaccharolyti cus)	5 / 12	ASP A 305 ILE A 344 ALA A 345 GLY A 270 VAL A 365	BMA A 502 ( 4.7A) None None None None	1.09A	5i75A-4r9gA: undetectable	5i75A-4r9gA: 19.38
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.	5N0X_B_SAMB501_1 (PEPTIDE N-METHYLTRANSFERASE)	2x86	ADP-L-GLYCERO-D-MANN O-HEPTOSE-6-EPIMERAS E (Escherichia coli)	3 / 3	SER A 116 ALA A 117 THR A 276	BMA A 402 ( 3.2A) None None	0.31A	5n0xB-2x86A: undetectable	5n0xB-2x86A: 20.83
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.	5SVL_A_ACTA411_0 (P2X PURINOCEPTOR 3)	4r9g	MBP1 (Caldanaerobius polysaccharolyti cus)	4 / 5	GLN A 354 VAL A 341 ASP A 339 ASN A 343	None None None BMA A 503 (-3.0A)	1.38A	5svlA-4r9gA: undetectable	5svlA-4r9gA: 21.34
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.	5UC1_B_486B801_2 (GLUCOCORTICOID RECEPTOR)	5b0s	LIN0857 PROTEIN (Listeria innocua)	5 / 12	ASN A 31 LEU A 45 GLY A 32 GLY A 33 VAL A 34	BMA A 401 (-3.3A) None None None None	1.01A	5uc1B-5b0sA: undetectable	5uc1B-5b0sA: 16.92
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.	5UTU_H_ADNH503_2 (ADENOSYLHOMOCYSTEINA SE)	1zpu	IRON TRANSPORT MULTICOPPER OXIDASE FET3 (Saccharomyces cerevisiae)	4 / 5	THR A 122 GLU A 155 HIS A 262 LEU A 260	None BMA A3001 (-4.2A) None None	1.26A	5utuH-1zpuA: undetectable	5utuH-1zpuA: 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.	5VLM_F_CVIF301_0 (REGULATORY PROTEIN TETR)	5b0s	LIN0857 PROTEIN (Listeria innocua)	5 / 12	ALA A 337 GLY A 330 LEU A 45 CYH A 251 PHE A 314	None None None None BMA A 401 (-3.9A)	1.41A	5vlmF-5b0sA: undetectable	5vlmF-5b0sA: 19.22
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.	5X1B_C_CHDC304_0 (CYTOCHROME C OXIDASE SUBUNIT 3)	1eth	TRIACYLGLYCEROL ACYL-HYDROLASE (Sus scrofa)	3 / 3	ARG A 165 PHE A 132 LEU A 8	BMA A 454 (-3.4A) None None	0.72A	5x1bC-1ethA: 0.5	5x1bC-1ethA: 19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6B94_B_W9TB201_0 (GALECTIN-1)	6byi	BETA-MANNOSIDASE (Xanthomonas citri)	5 / 10	THR A 480 ASN A 376 ARG A 408 ASP A 434 TRP A 552	None None None None BMA A 901 (-3.7A)	1.48A	6b94A-6byiA: undetectable 6b94B-6byiA: undetectable	6b94A-6byiA: undetectable 6b94B-6byiA: undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6DRY_A_H8DA2001_0 (5HT2B RECEPTOR, BRIL CHIMERA)	4r9g	MBP1 (Caldanaerobius polysaccharolyti cus)	5 / 11	ASP A 89 VAL A 196 LEU A 303 GLN A 191 TYR A 85	ZN A 505 (-3.0A) None None BMA A 502 (-3.7A) None	1.35A	6dryA-4r9gA: undetectable	6dryA-4r9gA: 22.11
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.	6HUO_D_08HD501_0 (GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOB UTYRIC ACID RECEPTOR SUBUNIT ALPHA-1 GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT GAMMA-2)	3wkh	CELLOBIOSE 2-EPIMERASE (Rhodothermus marinus)	4 / 8	TYR A 124 ASN A 196 PHE A 228 SER A 127	BMA A 502 (-4.6A) BMA A 502 (-2.8A) None None	1.24A	6huoC-3wkhA: undetectable 6huoD-3wkhA: undetectable	6huoC-3wkhA: 10.68 6huoD-3wkhA: 13.28

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1M4I_A_KANA500_1","AMINOGLYCOSIDE 2'-N-ACETYLTRANSFERASE","5esv","CH03 HEAVY CHAIN","Homo sapiens",4,"ASP A 100;GLY A 100;ASP A  56;THR A 100","None;None;BMA E 417 (-3.1A);NAG E 416 ( 4.7A)","0.90A","1m4iA-5esvA:undetectable",null],["1QU2_A_MRCA1993_2","ISOLEUCYL-TRNA SYNTHETASE","4pfy","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",3,"GLU A 152;TRP A 129;LYS A 502","BMA A 603 ( 3.2A);BMA A 603 ( 4.2A);None","1.39A","1qu2A-4pfyA:undetectable","1m4iA-5esvA:20.00"],["1RMT_B_ADNB1502_1","CLASS B ACID PHOSPHATASE","1zpu","IRON TRANSPORT MULTICOPPER OXIDASE FET3","Saccharomyces cerevisiae",4,"PHE A 148;GLU A 155;TYR A 152;LEU A 210","None;BMA A3001 (-4.2A);None;None","0.86A","1rmtB-1zpuA:undetectable","1qu2A-4pfyA:20.47"],["1T6Z_A_RBFA296_1","RIBOFLAVIN KINASE\/FMN ADENYLYLTRANSFERASE","5nbs","BETA-GLUCOSIDASE","Neurospora crassa",5,"VAL A 530;ASN A 478;GLU A 525;GLU A 418;ILE A 484","None;None;BMA A1134 (-3.6A);None;None","1.47A","1t6zA-5nbsA:undetectable","1rmtB-1zpuA:18.98"],["1W5U_B_DVAB8_0","GRAMICIDIN D","2zbl","PUTATIVE ISOMERASE","Salmonella enterica",3,"VAL A 314;VAL A 299;TRP A 316","None;None;BMA A 501 (-3.8A)","0.85A","1w5uA-2zblA:undetectable;1w5uB-2zblA:undetectable","1t6zA-5nbsA:13.31"],["1WG8_A_SAMA3142_0","PREDICTED S-ADENOSYLMETHIONINE-DEPENDENT METHYLTRANSFERASE","3wkh","CELLOBIOSE 2-EPIMERASE","Rhodothermus marinus",5,"GLY A 310;GLY A 313;PHE A 244;SER A 256;HIS A 259","None;None;None;None;BMA A 502 (-4.2A)","1.20A","1wg8A-3wkhA:undetectable","1w5uA-2zblA:4.55;1w5uB-2zblA:4.55"],["1XVA_A_ACTA294_0","GLYCINE N-METHYLTRANSFERASE","3wkh","CELLOBIOSE 2-EPIMERASE","Rhodothermus marinus",4,"ILE A 261;LEU A 240;ALA A 263;GLU A 262","None;None;None;BMA A 502 (-3.5A)","1.13A","1xvaA-3wkhA:undetectable;1xvaB-3wkhA:undetectable","1wg8A-3wkhA:24.58"],["1XVA_B_ACTB294_0","GLYCINE N-METHYLTRANSFERASE","3wkh","CELLOBIOSE 2-EPIMERASE","Rhodothermus marinus",4,"ALA A 263;GLU A 262;ILE A 261;LEU A 240","None;BMA A 502 (-3.5A);None;None","0.82A","1xvaA-3wkhA:undetectable;1xvaB-3wkhA:undetectable","1xvaA-3wkhA:22.25;1xvaB-3wkhA:22.25"],["1YA4_B_CTXB2_2","CES1 PROTEIN","5idb","NATTERIN-3","Crassostrea gigas",4,"LEU B  48;PRO B  41;ILE B 111;LEU B  28","BMA B1001 ( 4.9A);None;None;None","1.13A","1ya4B-5idbB:undetectable","1xvaA-3wkhA:22.25;1xvaB-3wkhA:22.25"],["1YA4_C_CTXC3_2","CES1 PROTEIN","5idb","NATTERIN-3","Crassostrea gigas",4,"LEU B  48;PRO B  41;ILE B 111;LEU B  28","BMA B1001 ( 4.9A);None;None;None","1.08A","1ya4C-5idbB:undetectable","1ya4B-5idbB:14.34"],["2X45_A_HSMA1162_1","ALLERGEN ARG R 1","2zbl","PUTATIVE ISOMERASE","Salmonella enterica",4,"GLU A 179;ASP A 380;HIS A 383;GLU A 251","None;BMA A 501 ( 4.5A);BMA A 501 (-3.9A);BMA A 501 (-2.8A)","1.27A","2x45A-2zblA:0.0","1ya4C-5idbB:14.34"],["2Y7H_C_SAMC530_1","TYPE I RESTRICTION ENZYME ECOKI M PROTEIN","4cd8","ENDO-BETA-1,4-MANNANASE","Alicyclobacillus acidocaldarius",3,"TYR A 203;GLU A 151;ASN A  97","MVL A 400 (-3.8A);MVL A 400 (-2.6A);BMA A 401 (-3.2A)","0.95A","2y7hC-4cd8A:undetectable","2x45A-2zblA:14.18"],["2Y7H_C_SAMC530_1","TYPE I RESTRICTION ENZYME ECOKI M PROTEIN","5yll","BETA-1,4-MANNANASE","Amphibacillus xylanus",3,"TYR B 195;GLU B 143;ASN B  89","BMA B 401 (-4.5A);BMA B 401 (-2.6A);BMA B 402 (-3.0A)","0.96A","2y7hC-5yllB:undetectable","2y7hC-4cd8A:18.11"],["2YA7_A_ZMRA1776_2","NEURAMINIDASE A","4cd8","ENDO-BETA-1,4-MANNANASE","Alicyclobacillus acidocaldarius",4,"ARG A 237;ASP A 296;LEU A 287;GLU A 282","None;None;None;BMA A 401 (-2.7A)","1.06A","2ya7A-4cd8A:undetectable","2y7hC-5yllB:undetectable"],["3AIC_A_ACRA5044_2","GLUCOSYLTRANSFERASE-SI","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",3,"LEU A  56;TRP A 544;TYR A  30","None;BMA A 604 ( 4.0A);None","0.89A","3aicA-4pfwA:undetectable","2ya7A-4cd8A:20.16"],["3AIC_B_ACRB5044_2","GLUCOSYLTRANSFERASE-SI","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",3,"LEU A  56;TRP A 544;TYR A  30","None;BMA A 604 ( 4.0A);None","0.89A","3aicB-4pfwA:undetectable","3aicA-4pfwA:19.10"],["3AIC_E_ACRE5044_2","GLUCOSYLTRANSFERASE-SI","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",3,"LEU A  56;TRP A 544;TYR A  30","None;BMA A 604 ( 4.0A);None","0.86A","3aicE-4pfwA:undetectable","3aicB-4pfwA:19.10"],["3AIC_F_ACRF5044_2","GLUCOSYLTRANSFERASE-SI","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",3,"LEU A  56;TRP A 544;TYR A  30","None;BMA A 604 ( 4.0A);None","0.81A","3aicF-4pfwA:undetectable","3aicE-4pfwA:19.10"],["3AIC_G_ACRG5044_2","GLUCOSYLTRANSFERASE-SI","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",3,"LEU A  56;TRP A 544;TYR A  30","None;BMA A 604 ( 4.0A);None","0.87A","3aicG-4pfwA:undetectable","3aicF-4pfwA:19.10"],["3AIC_H_ACRH5044_2","GLUCOSYLTRANSFERASE-SI","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",3,"LEU A  56;TRP A 544;TYR A  30","None;BMA A 604 ( 4.0A);None","0.87A","3aicH-4pfwA:undetectable","3aicG-4pfwA:19.10"],["3B6H_A_MXDA551_1","PROSTACYCLIN SYNTHASE","4pfy","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",4,"TYR A 418;ALA A 419;LEU A 422;ASN A 276","None;None;None;BMA A 607 ( 4.9A)","0.81A","3b6hA-4pfyA:undetectable","3aicH-4pfwA:19.10"],["3B6H_B_MXDB551_1","PROSTACYCLIN SYNTHASE","4pfy","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",4,"TYR A 418;ALA A 419;LEU A 422;ASN A 276","None;None;None;BMA A 607 ( 4.9A)","0.81A","3b6hB-4pfyA:undetectable","3b6hA-4pfyA:20.95"],["3BCR_A_AZZA940_1","GLYCOGEN PHOSPHORYLASE, MUSCLE FORM","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",4,"ASN A 432;PHE A 281;ALA A 433;GLY A 435","None;None;BMA A 606 ( 4.2A);BMA A 605 ( 3.6A)","1.21A","3bcrA-4pfwA:undetectable","3b6hB-4pfyA:20.95"],["3COT_A_STRA1501_1","3-OXO-5-BETA-STEROID 4-DEHYDROGENASE","5yll","BETA-1,4-MANNANASE","Amphibacillus xylanus",4,"TYR B 122;TYR B 126;TRP B 273;TRP B  11","None;None;BMA B 401 (-3.5A);BMA B 402 (-4.1A)","1.45A","3cotA-5yllB:9.6","3bcrA-4pfwA:20.07"],["3D2T_A_1FLA502_1","TRANSTHYRETIN","1nmb","N9 NEURAMINIDASE","Influenza A virus",4,"LEU N 377;LEU N 362;SER N 353;VAL N 424","BMA N 471 (-4.9A);None;None;None","0.99A","3d2tA-1nmbN:undetectable","3cotA-5yllB:10.98"],["3EBZ_B_017B201_1","PROTEASE;PROTEASE","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",5,"ALA A 393;ASP A 389;GLY A 279;ILE A 509;ILE A 307","None;BMA A 607 ( 2.9A);None;None;None","0.88A","3ebzA-4pfwA:undetectable","3d2tA-1nmbN:14.45"],["3HRD_E_NIOE5660_1","NICOTINATE DEHYDROGENASE LARGE MOLYBDOPTERIN SUBUNIT;NICOTINATE DEHYDROGENASE LARGE MOLYBDOPTERIN SUBUNIT;NICOTINATE DEHYDROGENASE MEDIUM MOLYBDOPTERIN SUBUNIT","5swi","SUGAR HYDROLASE","Streptococcus pneumoniae",3,"GLU B 489;GLU B 541;TRP B 483","BMA B 706 (-4.3A);BMA B 706 ( 2.8A);None","1.32A","3hrdA-5swiB:undetectable;3hrdE-5swiB:undetectable;3hrdF-5swiB:undetectable","3ebzA-4pfwA:10.80"],["3OY4_B_017B200_1","HIV-1 PROTEASE;HIV-1 PROTEASE","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",5,"ALA A 393;ASP A 389;GLY A 279;ILE A 509;ILE A 307","None;BMA A 607 ( 2.9A);None;None;None","0.92A","3oy4A-4pfwA:undetectable","3hrdA-5swiB:19.22;3hrdE-5swiB:19.22;3hrdF-5swiB:20.03"],["3PGY_B_GLYB509_0","SERINE HYDROXYMETHYLTRANSFERASE","4pfy","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",4,"PHE A 434;THR A 435;LEU A 422;TYR A 423","BMA A 606 ( 3.5A);BMA A 605 ( 4.7A);None;BMA A 605 ( 4.9A)","1.32A","3pgyB-4pfyA:undetectable","3oy4A-4pfwA:11.13"],["3S45_B_478B201_1","PROTEASE;PROTEASE","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",5,"ALA A 393;ASP A 389;GLY A 279;ILE A 509;ILE A 307","None;BMA A 607 ( 2.9A);None;None;None","0.92A","3s45A-4pfwA:undetectable","3pgyB-4pfyA:21.69"],["3U5J_A_08HA1_1","BROMODOMAIN-CONTAINING PROTEIN 4","4r9g","MBP1","Caldanaerobius polysaccharolyticus",4,"TRP A  25;PRO A  24;LEU A  21;LEU A  82","BMA A 503 ( 4.1A);None;None;None","0.89A","3u5jA-4r9gA:undetectable","3s45A-4pfwA:10.80"],["3U5K_B_08JB2_1","BROMODOMAIN-CONTAINING PROTEIN 4","4r9g","MBP1","Caldanaerobius polysaccharolyticus",4,"TRP A  25;PRO A  24;LEU A  21;LEU A  82","BMA A 503 ( 4.1A);None;None;None","0.94A","3u5kB-4r9gA:undetectable","3u5jA-4r9gA:14.04"],["3V3N_B_MIYB2001_1","TETX2 PROTEIN","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",4,"GLN A 521;GLY A 241;GLY A  32;ASN A 231","None;None;None;BMA A 607 ( 2.7A)","0.93A","3v3nB-4pfwA:undetectable","3u5kB-4r9gA:14.04"],["3V3N_C_MIYC2001_1","TETX2 PROTEIN","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",4,"GLN A 521;GLY A 241;GLY A  32;ASN A 231","None;None;None;BMA A 607 ( 2.7A)","0.94A","3v3nC-4pfwA:undetectable","3v3nB-4pfwA:20.71"],["4CEV_C_GAIC409_0","PROTEIN (ARGINASE)","4udj","UHGB_MP","uncultured organism",4,"MET A  67;ASP A  61;ARG A  59;HIS A  70","None;None;BMA A 329 (-4.0A);None","1.49A","4cevA-4udjA:undetectable;4cevC-4udjA:undetectable","3v3nC-4pfwA:20.71"],["4DQB_B_017B101_1","ASPARTYL PROTEASE;ASPARTYL PROTEASE","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",5,"ALA A 393;ASP A 389;GLY A 279;ILE A 509;ILE A 307","None;BMA A 607 ( 2.9A);None;None;None","0.93A","4dqbA-4pfwA:undetectable","4cevA-4udjA:22.28;4cevC-4udjA:22.28"],["4DQC_A_017A101_1","ASPARTYL PROTEASE","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",5,"ALA A 393;ASP A 389;GLY A 279;ILE A 509;ILE A 307","None;BMA A 607 ( 2.9A);None;None;None","0.93A","4dqcA-4pfwA:undetectable","4dqbA-4pfwA:11.36"],["4DQE_B_017B101_1","ASPARTYL PROTEASE;ASPARTYL PROTEASE","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",5,"ALA A 393;ASP A 389;GLY A 279;ILE A 509;ILE A 307","None;BMA A 607 ( 2.9A);None;None;None","0.94A","4dqeA-4pfwA:undetectable","4dqcA-4pfwA:10.99"],["4DQF_B_017B101_1","ASPARTYL PROTEASE;ASPARTYL PROTEASE","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",5,"ALA A 393;ASP A 389;GLY A 279;ILE A 509;ILE A 307","None;BMA A 607 ( 2.9A);None;None;None","0.94A","4dqfA-4pfwA:undetectable","4dqeA-4pfwA:10.99"],["4DQH_B_017B101_1","WILD-TYPE HIV-1 PROTEASE DIMER;WILD-TYPE HIV-1 PROTEASE DIMER","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",5,"ALA A 393;ASP A 389;GLY A 279;ILE A 509;ILE A 307","None;BMA A 607 ( 2.9A);None;None;None","0.94A","4dqhA-4pfwA:undetectable","4dqfA-4pfwA:10.99"],["4E7B_C_ACTC513_0","UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE","3wkh","CELLOBIOSE 2-EPIMERASE","Rhodothermus marinus",3,"TYR A 389;HIS A 390;ARG A 393","None;BMA A 502 ( 4.0A);None","0.95A","4e7bC-3wkhA:undetectable","4dqhA-4pfwA:11.55"],["4G0V_A_MIXA1301_1","DNA TOPOISOMERASE 2-BETA","4r9g","MBP1","Caldanaerobius polysaccharolyticus",4,"ARG A 139;GLY A 192;ASN A 391;GLN A 273","BMA A 502 (-4.0A);None;MAN A 501 ( 4.9A);None","1.09A","4g0vA-4r9gA:undetectable","4e7bC-3wkhA:24.47"],["4IIL_A_RBFA401_2","MEMBRANE LIPOPROTEIN TPN38(B)","4pfy","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",4,"PRO A 125;VAL A 126;ILE A 121;MET A 156","BMA A 603 ( 4.2A);BMA A 603 ( 4.6A);None;BMA A 603 ( 3.8A)","1.07A","4iilA-4pfyA:2.4","4g0vA-4r9gA:20.78"],["4J7X_B_SASB804_1","SEPIAPTERIN REDUCTASE","3oeb","S-LAYER ASSOCIATED MULTIDOMAIN ENDOGLUCANASE","Caldanaerobius polysaccharolyticus",5,"LEU A 124;PHE A  76;GLN A  21;ALA A  45;GLY A  41","None;None;BMA A 503 (-3.3A);None;None","1.15A","4j7xB-3oebA:undetectable","4iilA-4pfyA:20.51"],["4L1A_A_AB1A101_2","MDR769 HIV-1 PROTEASE;MDR769 HIV-1 PROTEASE","1qon","ACETYLCHOLINESTERASE","Drosophila melanogaster",4,"ARG A  70;ASN A  88;GLY A  61;THR A  65","None;None;BMA A 996 (-2.6A);None","1.09A","4l1aB-1qonA:undetectable","4j7xB-3oebA:19.10"],["4NJT_D_017D101_1","PROTEASE;PROTEASE","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",5,"ALA A 393;ASP A 389;GLY A 279;ILE A 509;ILE A 307","None;BMA A 607 ( 2.9A);None;None;None","0.94A","4njtC-4pfwA:undetectable","4l1aB-1qonA:11.05"],["4OBW_C_SAMC601_0","2-METHOXY-6-POLYPRENYL-1,4-BENZOQUINOL METHYLASE, MITOCHONDRIAL","1szn","ALPHA-GALACTOSIDASE","Trichoderma reesei",5,"GLY A 317;GLY A 344;SER A 314;ASN A 311;PHE A 310","NAG A 701 ( 4.3A);None;BMA A 705 ( 4.6A);None;None","1.26A","4obwC-1sznA:undetectable","4njtC-4pfwA:10.69"],["4QB9_A_PARA500_1","ENHANCED INTRACELLULAR SURVIVAL PROTEIN","6byi","BETA-MANNOSIDASE","Xanthomonas citri",5,"SER A 680;SER A 677;ASP A 215;TYR A 576;GLY A 577","None;None;BMA A 901 (-2.9A);None;None","1.39A","4qb9A-6byiA:undetectable","4obwC-1sznA:19.37"],["4R3A_B_RBFB402_2","BLUE-LIGHT-ACTIVATED HISTIDINE KINASE 2","5no7","LYTIC POLYSACCHARIDE MONOOXYGENASE","Trametes cinnabarina",5,"ALA A 242;ILE A 241;ILE A 165;GLY A 172;GLN A 174","BMA A 321 ( 4.4A);MAN A 322 (-4.7A);None;None;None","0.99A","4r3aB-5no7A:undetectable","4qb9A-6byiA:undetectable"],["4TWD_C_377C401_1","CYS-LOOP LIGAND-GATED ION CHANNEL;CYS-LOOP LIGAND-GATED ION CHANNEL","2zbl","PUTATIVE ISOMERASE","Salmonella enterica",4,"TYR A 111;GLU A 251;TYR A 382;LEU A 118","BMA A 501 (-4.4A);BMA A 501 (-2.8A);None;None","1.24A","4twdB-2zblA:2.1;4twdC-2zblA:2.0","4r3aB-5no7A:13.16"],["4UCK_B_SAMB2409_0","RNA-DIRECTED RNA POLYMERASE L","4pfw","ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN","Thermotoga maritima",5,"THR A 547;GLY A 540;SER A  33;LEU A  34;ALA A 542","None;None;None;None;BMA A 605 ( 4.4A)","1.11A","4uckB-4pfwA:undetectable","4twdB-2zblA:21.24;4twdC-2zblA:21.24"],["4XT7_A_TOPA302_1","RV2671","2bvt","BETA-1,4-MANNANASE","Cellulomonas fimi",5,"THR A  49;GLY A  43;ASP A 326;PHE A 325;GLU A  78","None;None;None;BMA A 501 (-3.9A);BMA A 500 ( 3.5A)","1.36A","4xt7A-2bvtA:undetectable","4uckB-4pfwA:21.59"],["5B6I_A_ADNA302_1","FLUORINASE","1rmg","RHAMNOGALACTURONASE A","Aspergillus aculeatus",4,"THR A 367;TYR A 369;THR A 370;SER A 352","MAN A 447 (-2.4A);None;BMA A 427 (-2.2A);BMA A 427 ( 4.3A)","1.14A","5b6iA-1rmgA:undetectable","4xt7A-2bvtA:23.21"],["5B6I_B_ADNB302_1","FLUORINASE","1rmg","RHAMNOGALACTURONASE A","Aspergillus aculeatus",4,"THR A 367;TYR A 369;THR A 370;SER A 352","MAN A 447 (-2.4A);None;BMA A 427 (-2.2A);BMA A 427 ( 4.3A)","1.15A","5b6iB-1rmgA:0.0","5b6iA-1rmgA:23.46"],["5CDN_G_EVPG2101_1","DNA GYRASE SUBUNIT A;DNA GYRASE SUBUNIT B,DNA GYRASE SUBUNIT B","1qon","ACETYLCHOLINESTERASE","Drosophila melanogaster",4,"SER A  90;GLU A  91;GLY A  61;GLY A  31","None;None;BMA A 996 (-2.6A);None","0.77A","5cdnA-1qonA:undetectable;5cdnB-1qonA:undetectable","5b6iB-1rmgA:23.46"],["5CDN_N_EVPN2101_1","DNA GYRASE SUBUNIT A;DNA GYRASE SUBUNIT B,DNA GYRASE SUBUNIT B","1qon","ACETYLCHOLINESTERASE","Drosophila melanogaster",4,"SER A  90;GLU A  91;GLY A  61;GLY A  31","None;None;BMA A 996 (-2.6A);None","0.78A","5cdnR-1qonA:undetectable;5cdnS-1qonA:undetectable","5cdnA-1qonA:22.73;5cdnB-1qonA:14.76"],["5DQF_A_CZEA613_1","SERUM ALBUMIN","2zbl","PUTATIVE ISOMERASE","Salmonella enterica",5,"ARG A  55;LEU A 118;GLY A 119;LEU A 385;GLU A 179","BMA A 501 (-2.7A);None;None;None;None","1.13A","5dqfA-2zblA:undetectable","5cdnR-1qonA:22.73;5cdnS-1qonA:14.76"],["5I71_A_68PA701_1","SODIUM-DEPENDENT SEROTONIN TRANSPORTER","4r9g","MBP1","Caldanaerobius polysaccharolyticus",5,"ASP A 305;ILE A 344;ALA A 345;GLY A 270;VAL A 365","BMA A 502 ( 4.7A);None;None;None;None","1.05A","5i71A-4r9gA:undetectable","5dqfA-2zblA:21.79"],["5I75_A_68PA701_1","SODIUM-DEPENDENT SEROTONIN TRANSPORTER","4r9g","MBP1","Caldanaerobius polysaccharolyticus",5,"ASP A 305;ILE A 344;ALA A 345;GLY A 270;VAL A 365","BMA A 502 ( 4.7A);None;None;None;None","1.09A","5i75A-4r9gA:undetectable","5i71A-4r9gA:19.38"],["5N0X_B_SAMB501_1","PEPTIDE N-METHYLTRANSFERASE","2x86","ADP-L-GLYCERO-D-MANNO-HEPTOSE-6-EPIMERASE","Escherichia coli",3,"SER A 116;ALA A 117;THR A 276","BMA A 402 ( 3.2A);None;None","0.31A","5n0xB-2x86A:undetectable","5i75A-4r9gA:19.38"],["5SVL_A_ACTA411_0","P2X PURINOCEPTOR 3","4r9g","MBP1","Caldanaerobius polysaccharolyticus",4,"GLN A 354;VAL A 341;ASP A 339;ASN A 343","None;None;None;BMA A 503 (-3.0A)","1.38A","5svlA-4r9gA:undetectable","5n0xB-2x86A:20.83"],["5UC1_B_486B801_2","GLUCOCORTICOID RECEPTOR","5b0s","LIN0857 PROTEIN","Listeria innocua",5,"ASN A  31;LEU A  45;GLY A  32;GLY A  33;VAL A  34","BMA A 401 (-3.3A);None;None;None;None","1.01A","5uc1B-5b0sA:undetectable","5svlA-4r9gA:21.34"],["5UTU_H_ADNH503_2","ADENOSYLHOMOCYSTEINASE","1zpu","IRON TRANSPORT MULTICOPPER OXIDASE FET3","Saccharomyces cerevisiae",4,"THR A 122;GLU A 155;HIS A 262;LEU A 260","None;BMA A3001 (-4.2A);None;None","1.26A","5utuH-1zpuA:undetectable","5uc1B-5b0sA:16.92"],["5VLM_F_CVIF301_0","REGULATORY PROTEIN TETR","5b0s","LIN0857 PROTEIN","Listeria innocua",5,"ALA A 337;GLY A 330;LEU A  45;CYH A 251;PHE A 314","None;None;None;None;BMA A 401 (-3.9A)","1.41A","5vlmF-5b0sA:undetectable","5utuH-1zpuA:19.50"],["5X1B_C_CHDC304_0","CYTOCHROME C OXIDASE SUBUNIT 3","1eth","TRIACYLGLYCEROL ACYL-HYDROLASE","Sus scrofa",3,"ARG A 165;PHE A 132;LEU A   8","BMA A 454 (-3.4A);None;None","0.72A","5x1bC-1ethA:0.5","5vlmF-5b0sA:19.22"],["6B94_B_W9TB201_0","GALECTIN-1","6byi","BETA-MANNOSIDASE","Xanthomonas citri",5,"THR A 480;ASN A 376;ARG A 408;ASP A 434;TRP A 552","None;None;None;None;BMA A 901 (-3.7A)","1.48A","6b94A-6byiA:undetectable;6b94B-6byiA:undetectable","5x1bC-1ethA:19.55"],["6DRY_A_H8DA2001_0","5HT2B RECEPTOR, BRIL CHIMERA","4r9g","MBP1","Caldanaerobius polysaccharolyticus",5,"ASP A  89;VAL A 196;LEU A 303;GLN A 191;TYR A  85"," ZN A 505 (-3.0A);None;None;BMA A 502 (-3.7A);None","1.35A","6dryA-4r9gA:undetectable","6b94A-6byiA:undetectable;6b94B-6byiA:undetectable"],["6HUO_D_08HD501_0","GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1;GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT GAMMA-2","3wkh","CELLOBIOSE 2-EPIMERASE","Rhodothermus marinus",4,"TYR A 124;ASN A 196;PHE A 228;SER A 127","BMA A 502 (-4.6A);BMA A 502 (-2.8A);None;None","1.24A","6huoC-3wkhA:undetectable;6huoD-3wkhA:undetectable","6dryA-4r9gA:22.11"]]