SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ORO'

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.	1C6Y_B_MK1B524_1 (PROTEIN (PROTEASE))	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	5 / 11	ALA A 61 ILE A 298 GLY A 320 ILE A 322 THR A 247	FMN A1337 (-3.4A) None None None ORO A1338 ( 2.6A)	0.88A	1c6yA-1f76A: undetectable	1c6yA-1f76A: 17.13
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.	1GTN_E_TRPE81_0 (TRP RNA-BINDING ATTENUATION PROTEIN)	3i6r	DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL (Plasmodium falciparum)	4 / 6	THR A 249 SER A 345 THR A 348 ILE A 321	FMN A1002 (-3.8A) ORO A1003 (-3.2A) None None	0.89A	1gtnD-3i6rA: undetectable 1gtnE-3i6rA: undetectable	1gtnD-3i6rA: 10.60 1gtnE-3i6rA: 10.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1H7X_A_URFA1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	4 / 6	ASN A 111 ASN A 172 ASN A 246 THR A 247	ORO A1338 ( 2.9A) ORO A1338 ( 3.2A) ORO A1338 (-3.0A) ORO A1338 ( 2.6A)	0.16A	1h7xA-1f76A: 29.5	1h7xA-1f76A: 16.57
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.	1H7X_A_URFA1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	1uuo	DIHYDROOROTATE DEHYDROGENASE (Rattus rattus)	4 / 6	ASN A 145 ASN A 212 ASN A 284 THR A 285	ORO A1399 ( 3.0A) FMN A1398 ( 3.0A) ORO A1399 ( 3.2A) ORO A1399 (-2.7A)	0.66A	1h7xA-1uuoA: 31.0	1h7xA-1uuoA: 17.96
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.	1H7X_A_URFA1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	3i6r	DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL (Plasmodium falciparum)	4 / 6	ASN A 274 ASN A 342 ASN A 458 THR A 459	ORO A1003 ( 3.1A) ORO A1003 ( 3.5A) ORO A1003 ( 3.0A) ORO A1003 (-2.6A)	0.41A	1h7xA-3i6rA: 8.3	1h7xA-3i6rA: 18.18
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.	1H7X_A_URFA1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	5mvd	DIHYDROOROTATE DEHYDROGENASE (QUINONE), MITOCHONDRIAL (Homo sapiens)	4 / 6	ASN A 145 ASN A 212 ASN A 284 THR A 285	ORO A 402 ( 3.1A) ORO A 402 ( 3.2A) ORO A 402 ( 2.9A) ORO A 402 ( 2.8A)	0.34A	1h7xA-5mvdA: 30.3	1h7xA-5mvdA: 18.21
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.	1H7X_B_URFB1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	4 / 6	ASN A 111 ASN A 172 ASN A 246 THR A 247	ORO A1338 ( 2.9A) ORO A1338 ( 3.2A) ORO A1338 (-3.0A) ORO A1338 ( 2.6A)	0.13A	1h7xB-1f76A: 29.5	1h7xB-1f76A: 16.57
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.	1H7X_B_URFB1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	1uuo	DIHYDROOROTATE DEHYDROGENASE (Rattus rattus)	4 / 6	ASN A 145 ASN A 212 ASN A 284 THR A 285	ORO A1399 ( 3.0A) FMN A1398 ( 3.0A) ORO A1399 ( 3.2A) ORO A1399 (-2.7A)	0.65A	1h7xB-1uuoA: 31.0	1h7xB-1uuoA: 17.96
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.	1H7X_B_URFB1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	3i6r	DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL (Plasmodium falciparum)	4 / 6	ASN A 274 ASN A 342 ASN A 458 THR A 459	ORO A1003 ( 3.1A) ORO A1003 ( 3.5A) ORO A1003 ( 3.0A) ORO A1003 (-2.6A)	0.43A	1h7xB-3i6rA: 31.4	1h7xB-3i6rA: 18.18
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.	1H7X_B_URFB1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	5mvd	DIHYDROOROTATE DEHYDROGENASE (QUINONE), MITOCHONDRIAL (Homo sapiens)	4 / 6	ASN A 145 ASN A 212 ASN A 284 THR A 285	ORO A 402 ( 3.1A) ORO A 402 ( 3.2A) ORO A 402 ( 2.9A) ORO A 402 ( 2.8A)	0.34A	1h7xB-5mvdA: 30.3	1h7xB-5mvdA: 18.21
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.	1H7X_C_URFC1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	4 / 6	ASN A 111 ASN A 172 ASN A 246 THR A 247	ORO A1338 ( 2.9A) ORO A1338 ( 3.2A) ORO A1338 (-3.0A) ORO A1338 ( 2.6A)	0.17A	1h7xC-1f76A: 29.5	1h7xC-1f76A: 16.57
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.	1H7X_C_URFC1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	1uuo	DIHYDROOROTATE DEHYDROGENASE (Rattus rattus)	4 / 6	ASN A 145 ASN A 212 ASN A 284 THR A 285	ORO A1399 ( 3.0A) FMN A1398 ( 3.0A) ORO A1399 ( 3.2A) ORO A1399 (-2.7A)	0.66A	1h7xC-1uuoA: 31.0	1h7xC-1uuoA: 17.96
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.	1H7X_C_URFC1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	3i6r	DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL (Plasmodium falciparum)	4 / 6	ASN A 274 ASN A 342 ASN A 458 THR A 459	ORO A1003 ( 3.1A) ORO A1003 ( 3.5A) ORO A1003 ( 3.0A) ORO A1003 (-2.6A)	0.42A	1h7xC-3i6rA: 31.4	1h7xC-3i6rA: 18.18
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.	1H7X_C_URFC1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	5mvd	DIHYDROOROTATE DEHYDROGENASE (QUINONE), MITOCHONDRIAL (Homo sapiens)	4 / 6	ASN A 145 ASN A 212 ASN A 284 THR A 285	ORO A 402 ( 3.1A) ORO A 402 ( 3.2A) ORO A 402 ( 2.9A) ORO A 402 ( 2.8A)	0.34A	1h7xC-5mvdA: 30.3	1h7xC-5mvdA: 18.21
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.	1H7X_D_URFD1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	4 / 6	ASN A 111 ASN A 172 ASN A 246 THR A 247	ORO A1338 ( 2.9A) ORO A1338 ( 3.2A) ORO A1338 (-3.0A) ORO A1338 ( 2.6A)	0.16A	1h7xD-1f76A: 29.5	1h7xD-1f76A: 16.57
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.	1H7X_D_URFD1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	1uuo	DIHYDROOROTATE DEHYDROGENASE (Rattus rattus)	4 / 6	ASN A 145 ASN A 212 ASN A 284 THR A 285	ORO A1399 ( 3.0A) FMN A1398 ( 3.0A) ORO A1399 ( 3.2A) ORO A1399 (-2.7A)	0.65A	1h7xD-1uuoA: 31.0	1h7xD-1uuoA: 17.96
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.	1H7X_D_URFD1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	3i6r	DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL (Plasmodium falciparum)	4 / 6	ASN A 274 ASN A 342 ASN A 458 THR A 459	ORO A1003 ( 3.1A) ORO A1003 ( 3.5A) ORO A1003 ( 3.0A) ORO A1003 (-2.6A)	0.43A	1h7xD-3i6rA: 4.7	1h7xD-3i6rA: 18.18
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.	1H7X_D_URFD1033_1 (DIHYDROPYRIMIDINE DEHYDROGENASE)	5mvd	DIHYDROOROTATE DEHYDROGENASE (QUINONE), MITOCHONDRIAL (Homo sapiens)	4 / 6	ASN A 145 ASN A 212 ASN A 284 THR A 285	ORO A 402 ( 3.1A) ORO A 402 ( 3.2A) ORO A 402 ( 2.9A) ORO A 402 ( 2.8A)	0.35A	1h7xD-5mvdA: 30.3	1h7xD-5mvdA: 18.21
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.	1T7I_A_017A200_1 (POL POLYPROTEIN)	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	5 / 10	ALA A 61 ILE A 298 GLY A 320 ILE A 322 THR A 247	FMN A1337 (-3.4A) None None None ORO A1338 ( 2.6A)	0.92A	1t7iA-1f76A: undetectable	1t7iA-1f76A: 15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1UTD_B_TRPB81_0 (TRANSCRIPTION ATTENUATION PROTEIN MTRB)	3i6r	DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL (Plasmodium falciparum)	4 / 8	THR A 348 ILE A 321 THR A 249 SER A 345	None None FMN A1002 (-3.8A) ORO A1003 (-3.2A)	0.79A	1utdB-3i6rA: undetectable 1utdC-3i6rA: undetectable	1utdB-3i6rA: 10.60 1utdC-3i6rA: 10.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2BDM_A_TMIA501_1 (CYTOCHROME P450 2B4)	2b4g	DIHYDROOROTATE DEHYDROGENASE (Trypanosoma brucei)	4 / 7	SER A 45 LEU A 72 GLY A 53 ILE A 212	FMN A1400 (-2.8A) ORO A1399 (-4.1A) None None	1.03A	2bdmA-2b4gA: undetectable	2bdmA-2b4gA: 23.43
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.	3BJW_A_SVRA508_2 (PHOSPHOLIPASE A2)	2b4g	DIHYDROOROTATE DEHYDROGENASE (Trypanosoma brucei)	5 / 9	VAL A 134 GLY A 71 THR A 47 GLY A 101 LYS A 137	None ORO A1399 (-3.7A) None None None	1.44A	3bjwG-2b4gA: undetectable	3bjwG-2b4gA: 15.24
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.	3EL4_A_ROCA100_2 (PROTEASE)	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	5 / 9	ALA A 61 ILE A 298 GLY A 320 ILE A 322 THR A 247	FMN A1337 (-3.4A) None None None ORO A1338 ( 2.6A)	0.82A	3el4B-1f76A: undetectable	3el4B-1f76A: 15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3EL9_A_DR7A100_2 (PROTEASE)	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	5 / 10	ALA A 61 ILE A 298 GLY A 320 ILE A 322 THR A 247	FMN A1337 (-3.4A) None None None ORO A1338 ( 2.6A)	0.90A	3el9B-1f76A: undetectable	3el9B-1f76A: 15.90
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.	3SPK_A_TPVA100_1 (HIV-1 PROTEASE)	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	5 / 11	ALA A 61 ILE A 298 GLY A 320 ILE A 322 THR A 247	FMN A1337 (-3.4A) None None None ORO A1338 ( 2.6A)	0.92A	3spkA-1f76A: undetectable	3spkA-1f76A: 15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3SPK_B_TPVB100_2 (HIV-1 PROTEASE)	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	5 / 12	ALA A 61 ILE A 298 GLY A 320 ILE A 322 THR A 247	FMN A1337 (-3.4A) None None None ORO A1338 ( 2.6A)	1.01A	3spkB-1f76A: undetectable	3spkB-1f76A: 15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3WXO_A_NIZA804_1 (CATALASE-PEROXIDASE)	4nn3	TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT (Desulfovibrio salexigens)	3 / 3	ASN A 212 GLU A 210 ARG A 172	ORO A 403 (-2.9A) None ORO A 403 (-2.8A)	1.09A	3wxoA-4nn3A: undetectable	3wxoA-4nn3A: 18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4G0V_D_MIXD101_1 (DNA TOPOISOMERASE 2-BETA)	4nn3	TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT (Desulfovibrio salexigens)	4 / 6	ARG A 172 GLY A 209 GLN A 182 MET A 307	ORO A 403 (-2.8A) None None None	0.98A	4g0vB-4nn3A: undetectable	4g0vB-4nn3A: 19.26
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.	4NJT_D_017D101_1 (PROTEASE)	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	5 / 11	ALA A 61 ILE A 298 GLY A 320 ILE A 322 THR A 247	FMN A1337 (-3.4A) None None None ORO A1338 ( 2.6A)	0.88A	4njtC-1f76A: undetectable	4njtC-1f76A: 17.50
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.	4PB1_A_RBVA501_1 (NUPC FAMILY PROTEIN)	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	5 / 12	GLY A 294 GLN A 316 ALA A 244 ASN A 172 ASN A 139	None None None ORO A1338 ( 3.2A) FMN A1337 (-3.3A)	1.19A	4pb1A-1f76A: 0.0	4pb1A-1f76A: 21.16
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.	4PCL_B_SAMB301_0 (O-METHYLTRANSFERASE FAMILY PROTEIN)	5mvd	DIHYDROOROTATE DEHYDROGENASE (QUINONE), MITOCHONDRIAL (Homo sapiens)	5 / 12	LEU A 355 GLY A 97 ASN A 145 ALA A 96 ASN A 181	FMN A 401 (-4.9A) FMN A 401 (-3.3A) ORO A 402 ( 3.1A) FMN A 401 (-3.4A) FMN A 401 (-3.1A)	1.42A	4pclB-5mvdA: undetectable	4pclB-5mvdA: 21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4PD5_A_GEOA501_1 (NUPC FAMILY PROTEIN)	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	5 / 12	GLY A 294 GLN A 316 ALA A 244 ASN A 172 ASN A 139	None None None ORO A1338 ( 3.2A) FMN A1337 (-3.3A)	1.19A	4pd5A-1f76A: 0.0	4pd5A-1f76A: 21.16
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.	5CDN_O_EVPO2101_1 (DNA GYRASE SUBUNIT A DNA GYRASE SUBUNIT B,DNA GYRASE SUBUNIT B)	4nn3	TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT (Desulfovibrio salexigens)	4 / 6	GLU A 30 ASP A 239 ARG A 43 GLY A 46	None None ORO A 403 (-2.9A) None	0.88A	5cdnC-4nn3A: undetectable 5cdnD-4nn3A: undetectable	5cdnC-4nn3A: 21.84 5cdnD-4nn3A: 21.10
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.	5CDN_P_EVPP2101_1 (DNA GYRASE SUBUNIT A DNA GYRASE SUBUNIT B,DNA GYRASE SUBUNIT B)	4nn3	TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT (Desulfovibrio salexigens)	4 / 6	GLU A 30 ASP A 239 ARG A 43 GLY A 46	None None ORO A 403 (-2.9A) None	0.93A	5cdnT-4nn3A: undetectable 5cdnU-4nn3A: undetectable	5cdnT-4nn3A: 21.84 5cdnU-4nn3A: 21.10
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.	5VIM_A_SAMA301_0 (METHYLTRANSFERASE)	3i6r	DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL (Plasmodium falciparum)	5 / 12	GLY A 277 GLY A 226 VAL A 532 PHE A 533 ILE A 272	ORO A1003 (-3.4A) FMN A1002 (-3.0A) J5Z A1001 (-4.2A) None FMN A1002 ( 4.1A)	0.85A	5vimA-3i6rA: undetectable	5vimA-3i6rA: 21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5VIM_B_SAMB301_0 (METHYLTRANSFERASE)	3i6r	DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL (Plasmodium falciparum)	5 / 12	GLY A 277 GLY A 226 VAL A 532 PHE A 533 ILE A 272	ORO A1003 (-3.4A) FMN A1002 (-3.0A) J5Z A1001 (-4.2A) None FMN A1002 ( 4.1A)	0.88A	5vimB-3i6rA: undetectable	5vimB-3i6rA: 21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5XIO_A_HFGA801_0 (PROLINE-TRNA SYNTHETASE CLASS II AARS (YBAK RNA BINDING DOMAIN PLUS TRNA SYNTHETASE))	4nn3	TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT (Desulfovibrio salexigens)	5 / 12	PHE A 195 PRO A 194 PHE A 222 THR A 155 GLY A 209	ORO A 403 ( 3.8A) CL A 401 (-4.4A) None None None	1.38A	5xioA-4nn3A: undetectable	5xioA-4nn3A: 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.	5YW0_A_ACTA412_0 (UNCHARACTERIZED PROTEIN KDOO)	1f76	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Escherichia coli)	3 / 3	LYS A 217 ASN A 172 SER A 175	FMN A1337 (-2.8A) ORO A1338 ( 3.2A) ORO A1338 (-3.0A)	1.25A	5yw0A-1f76A: 0.0	5yw0A-1f76A: 22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5YW0_A_ACTA412_0 (UNCHARACTERIZED PROTEIN KDOO)	3i6r	DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL (Plasmodium falciparum)	3 / 3	LYS A 429 ASN A 342 SER A 345	FMN A1002 (-2.8A) ORO A1003 ( 3.5A) ORO A1003 (-3.2A)	1.24A	5yw0A-3i6rA: undetectable	5yw0A-3i6rA: 21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6H7U_A_FVTA501_0 (PEPTIDE ABC TRANSPORTER PERMEASE)	4nn3	TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT (Desulfovibrio salexigens)	4 / 6	ASN A 212 PRO A 213 ILE A 217 GLU A 210	ORO A 403 (-2.9A) ORO A 403 ( 4.8A) None None	1.08A	6h7uA-4nn3A: undetectable	6h7uA-4nn3A: 21.70

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1C6Y_B_MK1B524_1","PROTEIN (PROTEASE);PROTEIN (PROTEASE)","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",5,"ALA A  61;ILE A 298;GLY A 320;ILE A 322;THR A 247","FMN A1337 (-3.4A);None;None;None;ORO A1338 ( 2.6A)","0.88A","1c6yA-1f76A:undetectable",null],["1GTN_E_TRPE81_0","TRP RNA-BINDING ATTENUATION PROTEIN","3i6r","DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL","Plasmodium falciparum",4,"THR A 249;SER A 345;THR A 348;ILE A 321","FMN A1002 (-3.8A);ORO A1003 (-3.2A);None;None","0.89A","1gtnD-3i6rA:undetectable;1gtnE-3i6rA:undetectable","1c6yA-1f76A:17.13"],["1H7X_A_URFA1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",4,"ASN A 111;ASN A 172;ASN A 246;THR A 247","ORO A1338 ( 2.9A);ORO A1338 ( 3.2A);ORO A1338 (-3.0A);ORO A1338 ( 2.6A)","0.16A","1h7xA-1f76A:29.5","1gtnD-3i6rA:10.60;1gtnE-3i6rA:10.60"],["1H7X_A_URFA1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","1uuo","DIHYDROOROTATE DEHYDROGENASE","Rattus rattus",4,"ASN A 145;ASN A 212;ASN A 284;THR A 285","ORO A1399 ( 3.0A);FMN A1398 ( 3.0A);ORO A1399 ( 3.2A);ORO A1399 (-2.7A)","0.66A","1h7xA-1uuoA:31.0","1h7xA-1f76A:16.57"],["1H7X_A_URFA1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","3i6r","DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL","Plasmodium falciparum",4,"ASN A 274;ASN A 342;ASN A 458;THR A 459","ORO A1003 ( 3.1A);ORO A1003 ( 3.5A);ORO A1003 ( 3.0A);ORO A1003 (-2.6A)","0.41A","1h7xA-3i6rA:8.3","1h7xA-1uuoA:17.96"],["1H7X_A_URFA1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","5mvd","DIHYDROOROTATE DEHYDROGENASE (QUINONE), MITOCHONDRIAL","Homo sapiens",4,"ASN A 145;ASN A 212;ASN A 284;THR A 285","ORO A 402 ( 3.1A);ORO A 402 ( 3.2A);ORO A 402 ( 2.9A);ORO A 402 ( 2.8A)","0.34A","1h7xA-5mvdA:30.3","1h7xA-3i6rA:18.18"],["1H7X_B_URFB1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",4,"ASN A 111;ASN A 172;ASN A 246;THR A 247","ORO A1338 ( 2.9A);ORO A1338 ( 3.2A);ORO A1338 (-3.0A);ORO A1338 ( 2.6A)","0.13A","1h7xB-1f76A:29.5","1h7xA-5mvdA:18.21"],["1H7X_B_URFB1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","1uuo","DIHYDROOROTATE DEHYDROGENASE","Rattus rattus",4,"ASN A 145;ASN A 212;ASN A 284;THR A 285","ORO A1399 ( 3.0A);FMN A1398 ( 3.0A);ORO A1399 ( 3.2A);ORO A1399 (-2.7A)","0.65A","1h7xB-1uuoA:31.0","1h7xB-1f76A:16.57"],["1H7X_B_URFB1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","3i6r","DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL","Plasmodium falciparum",4,"ASN A 274;ASN A 342;ASN A 458;THR A 459","ORO A1003 ( 3.1A);ORO A1003 ( 3.5A);ORO A1003 ( 3.0A);ORO A1003 (-2.6A)","0.43A","1h7xB-3i6rA:31.4","1h7xB-1uuoA:17.96"],["1H7X_B_URFB1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","5mvd","DIHYDROOROTATE DEHYDROGENASE (QUINONE), MITOCHONDRIAL","Homo sapiens",4,"ASN A 145;ASN A 212;ASN A 284;THR A 285","ORO A 402 ( 3.1A);ORO A 402 ( 3.2A);ORO A 402 ( 2.9A);ORO A 402 ( 2.8A)","0.34A","1h7xB-5mvdA:30.3","1h7xB-3i6rA:18.18"],["1H7X_C_URFC1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",4,"ASN A 111;ASN A 172;ASN A 246;THR A 247","ORO A1338 ( 2.9A);ORO A1338 ( 3.2A);ORO A1338 (-3.0A);ORO A1338 ( 2.6A)","0.17A","1h7xC-1f76A:29.5","1h7xB-5mvdA:18.21"],["1H7X_C_URFC1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","1uuo","DIHYDROOROTATE DEHYDROGENASE","Rattus rattus",4,"ASN A 145;ASN A 212;ASN A 284;THR A 285","ORO A1399 ( 3.0A);FMN A1398 ( 3.0A);ORO A1399 ( 3.2A);ORO A1399 (-2.7A)","0.66A","1h7xC-1uuoA:31.0","1h7xC-1f76A:16.57"],["1H7X_C_URFC1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","3i6r","DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL","Plasmodium falciparum",4,"ASN A 274;ASN A 342;ASN A 458;THR A 459","ORO A1003 ( 3.1A);ORO A1003 ( 3.5A);ORO A1003 ( 3.0A);ORO A1003 (-2.6A)","0.42A","1h7xC-3i6rA:31.4","1h7xC-1uuoA:17.96"],["1H7X_C_URFC1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","5mvd","DIHYDROOROTATE DEHYDROGENASE (QUINONE), MITOCHONDRIAL","Homo sapiens",4,"ASN A 145;ASN A 212;ASN A 284;THR A 285","ORO A 402 ( 3.1A);ORO A 402 ( 3.2A);ORO A 402 ( 2.9A);ORO A 402 ( 2.8A)","0.34A","1h7xC-5mvdA:30.3","1h7xC-3i6rA:18.18"],["1H7X_D_URFD1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",4,"ASN A 111;ASN A 172;ASN A 246;THR A 247","ORO A1338 ( 2.9A);ORO A1338 ( 3.2A);ORO A1338 (-3.0A);ORO A1338 ( 2.6A)","0.16A","1h7xD-1f76A:29.5","1h7xC-5mvdA:18.21"],["1H7X_D_URFD1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","1uuo","DIHYDROOROTATE DEHYDROGENASE","Rattus rattus",4,"ASN A 145;ASN A 212;ASN A 284;THR A 285","ORO A1399 ( 3.0A);FMN A1398 ( 3.0A);ORO A1399 ( 3.2A);ORO A1399 (-2.7A)","0.65A","1h7xD-1uuoA:31.0","1h7xD-1f76A:16.57"],["1H7X_D_URFD1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","3i6r","DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL","Plasmodium falciparum",4,"ASN A 274;ASN A 342;ASN A 458;THR A 459","ORO A1003 ( 3.1A);ORO A1003 ( 3.5A);ORO A1003 ( 3.0A);ORO A1003 (-2.6A)","0.43A","1h7xD-3i6rA:4.7","1h7xD-1uuoA:17.96"],["1H7X_D_URFD1033_1","DIHYDROPYRIMIDINE DEHYDROGENASE","5mvd","DIHYDROOROTATE DEHYDROGENASE (QUINONE), MITOCHONDRIAL","Homo sapiens",4,"ASN A 145;ASN A 212;ASN A 284;THR A 285","ORO A 402 ( 3.1A);ORO A 402 ( 3.2A);ORO A 402 ( 2.9A);ORO A 402 ( 2.8A)","0.35A","1h7xD-5mvdA:30.3","1h7xD-3i6rA:18.18"],["1T7I_A_017A200_1","POL POLYPROTEIN","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",5,"ALA A  61;ILE A 298;GLY A 320;ILE A 322;THR A 247","FMN A1337 (-3.4A);None;None;None;ORO A1338 ( 2.6A)","0.92A","1t7iA-1f76A:undetectable","1h7xD-5mvdA:18.21"],["1UTD_B_TRPB81_0","TRANSCRIPTION ATTENUATION PROTEIN MTRB","3i6r","DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL","Plasmodium falciparum",4,"THR A 348;ILE A 321;THR A 249;SER A 345","None;None;FMN A1002 (-3.8A);ORO A1003 (-3.2A)","0.79A","1utdB-3i6rA:undetectable;1utdC-3i6rA:undetectable","1t7iA-1f76A:15.60"],["2BDM_A_TMIA501_1","CYTOCHROME P450 2B4","2b4g","DIHYDROOROTATE DEHYDROGENASE","Trypanosoma brucei",4,"SER A  45;LEU A  72;GLY A  53;ILE A 212","FMN A1400 (-2.8A);ORO A1399 (-4.1A);None;None","1.03A","2bdmA-2b4gA:undetectable","1utdB-3i6rA:10.60;1utdC-3i6rA:10.60"],["3BJW_A_SVRA508_2","PHOSPHOLIPASE A2;PHOSPHOLIPASE A2","2b4g","DIHYDROOROTATE DEHYDROGENASE","Trypanosoma brucei",5,"VAL A 134;GLY A  71;THR A  47;GLY A 101;LYS A 137","None;ORO A1399 (-3.7A);None;None;None","1.44A","3bjwG-2b4gA:undetectable","2bdmA-2b4gA:23.43"],["3EL4_A_ROCA100_2","PROTEASE;PROTEASE","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",5,"ALA A  61;ILE A 298;GLY A 320;ILE A 322;THR A 247","FMN A1337 (-3.4A);None;None;None;ORO A1338 ( 2.6A)","0.82A","3el4B-1f76A:undetectable","3bjwG-2b4gA:15.24"],["3EL9_A_DR7A100_2","PROTEASE;PROTEASE","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",5,"ALA A  61;ILE A 298;GLY A 320;ILE A 322;THR A 247","FMN A1337 (-3.4A);None;None;None;ORO A1338 ( 2.6A)","0.90A","3el9B-1f76A:undetectable","3el4B-1f76A:15.60"],["3SPK_A_TPVA100_1","HIV-1 PROTEASE","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",5,"ALA A  61;ILE A 298;GLY A 320;ILE A 322;THR A 247","FMN A1337 (-3.4A);None;None;None;ORO A1338 ( 2.6A)","0.92A","3spkA-1f76A:undetectable","3el9B-1f76A:15.90"],["3SPK_B_TPVB100_2","HIV-1 PROTEASE","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",5,"ALA A  61;ILE A 298;GLY A 320;ILE A 322;THR A 247","FMN A1337 (-3.4A);None;None;None;ORO A1338 ( 2.6A)","1.01A","3spkB-1f76A:undetectable","3spkA-1f76A:15.60"],["3WXO_A_NIZA804_1","CATALASE-PEROXIDASE","4nn3","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT","Desulfovibrio salexigens",3,"ASN A 212;GLU A 210;ARG A 172","ORO A 403 (-2.9A);None;ORO A 403 (-2.8A)","1.09A","3wxoA-4nn3A:undetectable","3spkB-1f76A:15.60"],["4G0V_D_MIXD101_1","DNA TOPOISOMERASE 2-BETA","4nn3","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT","Desulfovibrio salexigens",4,"ARG A 172;GLY A 209;GLN A 182;MET A 307","ORO A 403 (-2.8A);None;None;None","0.98A","4g0vB-4nn3A:undetectable","3wxoA-4nn3A:18.84"],["4NJT_D_017D101_1","PROTEASE;PROTEASE","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",5,"ALA A  61;ILE A 298;GLY A 320;ILE A 322;THR A 247","FMN A1337 (-3.4A);None;None;None;ORO A1338 ( 2.6A)","0.88A","4njtC-1f76A:undetectable","4g0vB-4nn3A:19.26"],["4PB1_A_RBVA501_1","NUPC FAMILY PROTEIN","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",5,"GLY A 294;GLN A 316;ALA A 244;ASN A 172;ASN A 139","None;None;None;ORO A1338 ( 3.2A);FMN A1337 (-3.3A)","1.19A","4pb1A-1f76A:0.0","4njtC-1f76A:17.50"],["4PCL_B_SAMB301_0","O-METHYLTRANSFERASE FAMILY PROTEIN","5mvd","DIHYDROOROTATE DEHYDROGENASE (QUINONE), MITOCHONDRIAL","Homo sapiens",5,"LEU A 355;GLY A  97;ASN A 145;ALA A  96;ASN A 181","FMN A 401 (-4.9A);FMN A 401 (-3.3A);ORO A 402 ( 3.1A);FMN A 401 (-3.4A);FMN A 401 (-3.1A)","1.42A","4pclB-5mvdA:undetectable","4pb1A-1f76A:21.16"],["4PD5_A_GEOA501_1","NUPC FAMILY PROTEIN","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",5,"GLY A 294;GLN A 316;ALA A 244;ASN A 172;ASN A 139","None;None;None;ORO A1338 ( 3.2A);FMN A1337 (-3.3A)","1.19A","4pd5A-1f76A:0.0","4pclB-5mvdA:21.39"],["5CDN_O_EVPO2101_1","DNA GYRASE SUBUNIT A;DNA GYRASE SUBUNIT B,DNA GYRASE SUBUNIT B","4nn3","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT","Desulfovibrio salexigens",4,"GLU A  30;ASP A 239;ARG A  43;GLY A  46","None;None;ORO A 403 (-2.9A);None","0.88A","5cdnC-4nn3A:undetectable;5cdnD-4nn3A:undetectable","4pd5A-1f76A:21.16"],["5CDN_P_EVPP2101_1","DNA GYRASE SUBUNIT A;DNA GYRASE SUBUNIT B,DNA GYRASE SUBUNIT B","4nn3","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT","Desulfovibrio salexigens",4,"GLU A  30;ASP A 239;ARG A  43;GLY A  46","None;None;ORO A 403 (-2.9A);None","0.93A","5cdnT-4nn3A:undetectable;5cdnU-4nn3A:undetectable","5cdnC-4nn3A:21.84;5cdnD-4nn3A:21.10"],["5VIM_A_SAMA301_0","METHYLTRANSFERASE","3i6r","DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL","Plasmodium falciparum",5,"GLY A 277;GLY A 226;VAL A 532;PHE A 533;ILE A 272","ORO A1003 (-3.4A);FMN A1002 (-3.0A);J5Z A1001 (-4.2A);None;FMN A1002 ( 4.1A)","0.85A","5vimA-3i6rA:undetectable","5cdnT-4nn3A:21.84;5cdnU-4nn3A:21.10"],["5VIM_B_SAMB301_0","METHYLTRANSFERASE","3i6r","DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL","Plasmodium falciparum",5,"GLY A 277;GLY A 226;VAL A 532;PHE A 533;ILE A 272","ORO A1003 (-3.4A);FMN A1002 (-3.0A);J5Z A1001 (-4.2A);None;FMN A1002 ( 4.1A)","0.88A","5vimB-3i6rA:undetectable","5vimA-3i6rA:21.70"],["5XIO_A_HFGA801_0","PROLINE-TRNA SYNTHETASE CLASS II AARS (YBAK RNA BINDING DOMAIN PLUS TRNA SYNTHETASE)","4nn3","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT","Desulfovibrio salexigens",5,"PHE A 195;PRO A 194;PHE A 222;THR A 155;GLY A 209","ORO A 403 ( 3.8A); CL A 401 (-4.4A);None;None;None","1.38A","5xioA-4nn3A:undetectable","5vimB-3i6rA:21.70"],["5YW0_A_ACTA412_0","UNCHARACTERIZED PROTEIN KDOO","1f76","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","Escherichia coli",3,"LYS A 217;ASN A 172;SER A 175","FMN A1337 (-2.8A);ORO A1338 ( 3.2A);ORO A1338 (-3.0A)","1.25A","5yw0A-1f76A:0.0","5xioA-4nn3A:21.24"],["5YW0_A_ACTA412_0","UNCHARACTERIZED PROTEIN KDOO","3i6r","DIHYDROOROTATE DEHYDROGENASE HOMOLOG, MITOCHONDRIAL","Plasmodium falciparum",3,"LYS A 429;ASN A 342;SER A 345","FMN A1002 (-2.8A);ORO A1003 ( 3.5A);ORO A1003 (-3.2A)","1.24A","5yw0A-3i6rA:undetectable","5yw0A-1f76A:22.69"],["6H7U_A_FVTA501_0","PEPTIDE ABC TRANSPORTER PERMEASE","4nn3","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT","Desulfovibrio salexigens",4,"ASN A 212;PRO A 213;ILE A 217;GLU A 210","ORO A 403 (-2.9A);ORO A 403 ( 4.8A);None;None","1.08A","6h7uA-4nn3A:undetectable","5yw0A-3i6rA:21.60"]]