SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2zpb'

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.	1DF7_A_MTXA501_1 (DIHYDROFOLATE REDUCTASE)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA (Rhodococcus erythropolis)	5 / 12	ILE A 94 ALA A 80 VAL A 190 LEU A 195 ILE A 119	None	0.95A	1df7A-2zpbA: undetectable	1df7A-2zpbA: 20.75
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.	1GS4_A_ZK5A1918_1 (ANDROGEN RECEPTOR)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 12	LEU B 98 GLY B 100 ALA A 22 LEU A 25 PHE B 103	None	1.15A	1gs4A-2zpbB: undetectable	1gs4A-2zpbB: 20.74
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.	1J96_A_TESA903_1 (3ALPHA-HYDROXYSTEROI D DEHYDROGENASE TYPE 3)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	4 / 6	TYR B 145 VAL A 106 ILE A 107 LEU A 111	None	1.14A	1j96A-2zpbB: undetectable	1j96A-2zpbB: 22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1LWE_A_NVPA999_1 (HIV-1 REVERSE TRANSCRIPTASE)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	4 / 7	LEU B 189 VAL B 131 GLY B 148 TYR B 145	None	0.98A	1lweA-2zpbB: undetectable	1lweA-2zpbB: 18.10
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.	1N6C_A_SAMA402_0 (SET DOMAIN-CONTAINING PROTEIN 7)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 11	ILE B 167 ALA B 174 GLY B 175 GLU B 176 HIS B 139	None	1.18A	1n6cA-2zpbB: undetectable	1n6cA-2zpbB: 23.39
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.	1WOP_A_FFOA2887_0 (AMINOMETHYLTRANSFERA SE)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis; Rhodococcus erythropolis)	5 / 12	MET B 62 VAL B 55 VAL B 58 TYR B 73 TRP A 117	None	1.21A	1wopA-2zpbB: undetectable	1wopA-2zpbB: 20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1YAJ_K_BEZK4387_0 (CES1 PROTEIN)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA (Rhodococcus erythropolis)	3 / 3	TRP A 117 LEU A 120 LYS A 192	None	1.19A	1yajK-2zpbA: undetectable	1yajK-2zpbA: 15.73
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.	2A1M_A_CAMA1422_0 (CYTOCHROME P450-CAM)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	4 / 7	THR B 70 VAL B 77 GLY B 79 THR B 82	None	0.97A	2a1mA-2zpbB: undetectable	2a1mA-2zpbB: 19.57
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.	2BR4_A_SAMA301_1 (CEPHALOSPORIN HYDROXYLASE CMCI)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis; Rhodococcus erythropolis)	3 / 3	LYS A 115 ASP B 53 ASP B 165	CSO A 114 ( 3.7A) None None	1.01A	2br4A-2zpbA: undetectable	2br4A-2zpbA: 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.	2COJ_A_GBNA420_1 (BRANCHED CHAIN AMINOTRANSFERASE 1, CYTOSOLIC)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 11	PHE A 130 ARG A 133 GLY B 12 TYR B 67 VAL B 4	None	1.48A	2cojA-2zpbA: undetectable 2cojB-2zpbA: undetectable	2cojA-2zpbA: 16.96 2cojB-2zpbA: 16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2VJ1_A_BEZA1303_0 (SARS CORONAVIRUS MAIN PROTEINASE)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	3 / 3	HIS B 66 MET B 69 MET B 62	None	1.24A	2vj1A-2zpbB: undetectable	2vj1A-2zpbB: 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.	2XCT_G_CPFG1020_1 (DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	3 / 3	ARG B 114 GLY B 113 SER B 51	None	0.59A	2xctB-2zpbB: undetectable	2xctB-2zpbB: 15.63
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.	3DRC_B_MTXB361_1 (DIHYDROFOLATE REDUCTASE)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA (Rhodococcus erythropolis)	5 / 12	ILE A 94 ALA A 80 LEU A 171 LEU A 195 ILE A 119	None	1.05A	3drcB-2zpbA: undetectable	3drcB-2zpbA: 22.97
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.	3EIG_A_MTXA200_2 (DIHYDROFOLATE REDUCTASE)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	4 / 5	ASP A 161 ARG A 167 ILE A 107 THR B 157	None CSO A 114 ( 3.8A) None None	1.15A	3eigA-2zpbA: undetectable	3eigA-2zpbA: 22.43
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.	3HZN_G_ACTG225_0 (OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	3 / 3	PRO B 104 LEU B 105 GLN B 92	None	0.67A	3hznG-2zpbB: undetectable 3hznH-2zpbB: undetectable	3hznG-2zpbB: 23.51 3hznH-2zpbB: 23.51
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.	3W9T_B_W9TB502_1 (HEMOLYTIC LECTIN CEL-III)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	4 / 6	GLU B 54 GLY B 168 LEU B 83 GLU B 60	None	1.10A	3w9tB-2zpbB: undetectable	3w9tB-2zpbB: 18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3W9T_E_W9TE502_1 (HEMOLYTIC LECTIN CEL-III)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	4 / 6	GLU B 54 GLY B 168 LEU B 83 GLU B 60	None	1.10A	3w9tE-2zpbB: undetectable	3w9tE-2zpbB: 18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3W9T_F_W9TF503_1 (HEMOLYTIC LECTIN CEL-III)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	4 / 6	GLU B 54 GLY B 168 LEU B 83 GLU B 60	None	1.14A	3w9tF-2zpbB: undetectable	3w9tF-2zpbB: 18.41
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.	4DFR_B_MTXB162_1 (DIHYDROFOLATE REDUCTASE)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA (Rhodococcus erythropolis)	5 / 12	ILE A 94 ALA A 80 LEU A 171 LEU A 195 ILE A 119	None	1.09A	4dfrB-2zpbA: undetectable	4dfrB-2zpbA: 22.97
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.	4E47_A_SAMA401_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SETD7)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 11	ILE B 167 ALA B 174 GLY B 175 GLU B 176 HIS B 139	None	1.11A	4e47A-2zpbB: undetectable	4e47A-2zpbB: 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.	4E47_B_SAMB800_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SETD7)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 11	ILE B 167 ALA B 174 GLY B 175 GLU B 176 HIS B 139	None	1.13A	4e47B-2zpbB: undetectable	4e47B-2zpbB: 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.	4E47_C_SAMC800_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SETD7)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 11	ILE B 167 ALA B 174 GLY B 175 GLU B 176 GLY B 206	None	0.89A	4e47C-2zpbB: undetectable	4e47C-2zpbB: 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.	4E47_C_SAMC800_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SETD7)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 11	ILE B 167 ALA B 174 GLY B 175 GLU B 176 HIS B 139	None	1.15A	4e47C-2zpbB: undetectable	4e47C-2zpbB: 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.	4ENH_A_FVXA602_1 (CHOLESTEROL 24-HYDROXYLASE)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 12	LEU B 35 ALA A 28 ALA B 99 GLY B 101 ALA A 22	None	1.13A	4enhA-2zpbB: undetectable	4enhA-2zpbB: 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.	4G10_A_ACTA301_0 (GLUTATHIONE S-TRANSFERASE HOMOLOG)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis; Rhodococcus erythropolis)	4 / 6	PRO A 123 TYR B 37 TYR B 72 TYR B 76	None	1.18A	4g10A-2zpbA: undetectable	4g10A-2zpbA: 20.86
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.	4JDS_A_SAMA401_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SETD7)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 11	ILE B 167 ALA B 174 GLY B 175 GLU B 176 HIS B 139	None	1.12A	4jdsA-2zpbB: undetectable	4jdsA-2zpbB: 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.	4JDS_B_SAMB401_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SETD7)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 11	ILE B 167 ALA B 174 GLY B 175 GLU B 176 HIS B 139	None	1.12A	4jdsB-2zpbB: undetectable	4jdsB-2zpbB: 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.	4JDS_C_SAMC401_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SETD7)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 11	ILE B 167 ALA B 174 GLY B 175 GLU B 176 HIS B 139	None	1.13A	4jdsC-2zpbB: undetectable	4jdsC-2zpbB: 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.	4JLG_A_SAMA401_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SETD7)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	6 / 12	ILE B 167 ALA B 174 GLY B 175 GLU B 176 GLY B 206 HIS B 139	None	1.14A	4jlgA-2zpbB: undetectable	4jlgA-2zpbB: 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.	4JLG_B_SAMB401_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SETD7)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 11	ILE B 167 ALA B 174 GLU B 176 GLY B 206 HIS B 139	None	1.23A	4jlgB-2zpbB: undetectable	4jlgB-2zpbB: 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.	4LB2_A_DM5A601_1 (SERUM ALBUMIN)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	4 / 7	LEU B 83 VAL B 80 TYR B 57 GLU B 54	None	0.82A	4lb2A-2zpbB: undetectable	4lb2A-2zpbB: 15.74
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.	4MWX_A_ZMRA513_1 (NEURAMINIDASE)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 12	GLU A 165 ASP B 53 ARG B 56 ALA B 116 GLU B 177	None None CSO A 114 ( 3.8A) None None	1.18A	4mwxA-2zpbA: undetectable	4mwxA-2zpbA: 20.33
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.	4UG5_A_H4BA902_1 (NITRIC OXIDE SYNTHASE OXYGENASE)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	3 / 3	ARG B 56 THR A 115 TRP A 117	CSO A 114 ( 3.8A) CSO A 114 ( 4.0A) None	1.23A	4ug5A-2zpbB: undetectable	4ug5A-2zpbB: 22.38
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.	5AYF_A_SAMA401_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SETD7)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 11	ILE B 167 ALA B 174 GLY B 175 GLU B 176 GLY B 206	None	0.88A	5ayfA-2zpbB: undetectable	5ayfA-2zpbB: 22.18
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.	5AYF_A_SAMA401_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SETD7)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 11	ILE B 167 ALA B 174 GLY B 175 GLU B 176 HIS B 139	None	1.16A	5ayfA-2zpbB: undetectable	5ayfA-2zpbB: 22.18
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.	5E5J_A_017A201_3 (PROTEASE)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	3 / 3	ASP A 30 VAL A 40 LEU B 35	None	0.63A	5e5jB-2zpbA: undetectable	5e5jB-2zpbA: 14.15
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.	5EWU_A_BEZA1401_0 (MAGNESIUM-CHELATASE SUBUNIT CHLH, CHLOROPLASTIC)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	4 / 6	GLY B 79 SER B 106 VAL B 59 HIS B 66	None	1.09A	5ewuA-2zpbB: undetectable	5ewuA-2zpbB: 20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5EWU_B_BEZB1401_0 (MAGNESIUM-CHELATASE SUBUNIT CHLH, CHLOROPLASTIC)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	4 / 6	GLY B 79 SER B 106 VAL B 59 HIS B 66	None	1.11A	5ewuB-2zpbB: undetectable	5ewuB-2zpbB: 20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5L17_A_ZMRA512_1 (NEURAMINIDASE)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	5 / 12	GLU A 165 ASP B 53 ARG B 56 ALA B 116 GLU B 177	None None CSO A 114 ( 3.8A) None None	1.15A	5l17A-2zpbA: undetectable	5l17A-2zpbA: 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.	5ODQ_A_ACTA703_0 (HETERODISULFIDE REDUCTASE, SUBUNIT A)	2zpb	NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	4 / 6	ALA B 166 PRO B 164 PHE B 204 GLU B 177	None	1.37A	5odqA-2zpbB: undetectable	5odqA-2zpbB: 16.13
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.	5TIX_B_OQRB302_0 (SULFOTRANSFERASE)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA (Rhodococcus erythropolis)	5 / 10	PRO A 172 MET A 169 ILE A 119 LEU A 171 VAL A 190	None	1.36A	5tixB-2zpbA: undetectable	5tixB-2zpbA: 20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5X80_D_SALD201_1 (UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA (Rhodococcus erythropolis)	4 / 5	PRO A 53 GLY A 56 VAL A 190 ARG A 54	None	1.34A	5x80C-2zpbA: undetectable 5x80D-2zpbA: undetectable	5x80C-2zpbA: 21.53 5x80D-2zpbA: 21.53
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.	6CE2_B_SVRB202_1 ()	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis)	4 / 8	LEU B 95 LEU B 98 LEU A 34 GLY A 33	None	0.93A	6ce2A-2zpbB: undetectable	6ce2A-2zpbB: 15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6HCX_A_ZMRA519_0 (NEURAMINIDASE)	2zpb	NITRILE HYDRATASE SUBUNIT ALPHA NITRILE HYDRATASE SUBUNIT BETA (Rhodococcus erythropolis; Rhodococcus erythropolis)	5 / 12	GLU A 165 ASP B 53 ARG B 56 ALA B 116 GLU B 177	None None CSO A 114 ( 3.8A) None None	1.19A	6hcxA-2zpbA: undetectable	6hcxA-2zpbA: 15.30

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1DF7_A_MTXA501_1","DIHYDROFOLATE REDUCTASE","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA","Rhodococcus erythropolis",5,"ILE A  94;ALA A  80;VAL A 190;LEU A 195;ILE A 119","None","0.95A","1df7A-2zpbA:undetectable","1df7A-2zpbA:20.75"],["1GS4_A_ZK5A1918_1","ANDROGEN RECEPTOR","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"LEU B  98;GLY B 100;ALA A  22;LEU A  25;PHE B 103","None","1.15A","1gs4A-2zpbB:undetectable","1gs4A-2zpbB:20.74"],["1J96_A_TESA903_1","3ALPHA-HYDROXYSTEROID DEHYDROGENASE TYPE 3","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",4,"TYR B 145;VAL A 106;ILE A 107;LEU A 111","None","1.14A","1j96A-2zpbB:undetectable","1j96A-2zpbB:22.77"],["1LWE_A_NVPA999_1","HIV-1 REVERSE TRANSCRIPTASE","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",4,"LEU B 189;VAL B 131;GLY B 148;TYR B 145","None","0.98A","1lweA-2zpbB:undetectable","1lweA-2zpbB:18.10"],["1N6C_A_SAMA402_0","SET DOMAIN-CONTAINING PROTEIN 7","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"ILE B 167;ALA B 174;GLY B 175;GLU B 176;HIS B 139","None","1.18A","1n6cA-2zpbB:undetectable","1n6cA-2zpbB:23.39"],["1WOP_A_FFOA2887_0","AMINOMETHYLTRANSFERASE","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis;Rhodococcus erythropolis",5,"MET B  62;VAL B  55;VAL B  58;TYR B  73;TRP A 117","None","1.21A","1wopA-2zpbB:undetectable","1wopA-2zpbB:20.32"],["1YAJ_K_BEZK4387_0","CES1 PROTEIN","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA","Rhodococcus erythropolis",3,"TRP A 117;LEU A 120;LYS A 192","None","1.19A","1yajK-2zpbA:undetectable","1yajK-2zpbA:15.73"],["2A1M_A_CAMA1422_0","CYTOCHROME P450-CAM","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",4,"THR B  70;VAL B  77;GLY B  79;THR B  82","None","0.97A","2a1mA-2zpbB:undetectable","2a1mA-2zpbB:19.57"],["2BR4_A_SAMA301_1","CEPHALOSPORIN HYDROXYLASE CMCI","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis;Rhodococcus erythropolis",3,"LYS A 115;ASP B  53;ASP B 165","CSO A 114 ( 3.7A);None;None","1.01A","2br4A-2zpbA:undetectable","2br4A-2zpbA:20.16"],["2COJ_A_GBNA420_1","BRANCHED CHAIN AMINOTRANSFERASE 1, CYTOSOLIC;BRANCHED CHAIN AMINOTRANSFERASE 1, CYTOSOLIC","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"PHE A 130;ARG A 133;GLY B  12;TYR B  67;VAL B   4","None","1.48A","2cojA-2zpbA:undetectable;2cojB-2zpbA:undetectable","2cojA-2zpbA:16.96;2cojB-2zpbA:16.96"],["2VJ1_A_BEZA1303_0","SARS CORONAVIRUS MAIN PROTEINASE","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",3,"HIS B  66;MET B  69;MET B  62","None","1.24A","2vj1A-2zpbB:undetectable","2vj1A-2zpbB:20.13"],["2XCT_G_CPFG1020_1","DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",3,"ARG B 114;GLY B 113;SER B  51","None","0.59A","2xctB-2zpbB:undetectable","2xctB-2zpbB:15.63"],["3DRC_B_MTXB361_1","DIHYDROFOLATE REDUCTASE","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA","Rhodococcus erythropolis",5,"ILE A  94;ALA A  80;LEU A 171;LEU A 195;ILE A 119","None","1.05A","3drcB-2zpbA:undetectable","3drcB-2zpbA:22.97"],["3EIG_A_MTXA200_2","DIHYDROFOLATE REDUCTASE","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",4,"ASP A 161;ARG A 167;ILE A 107;THR B 157","None;CSO A 114 ( 3.8A);None;None","1.15A","3eigA-2zpbA:undetectable","3eigA-2zpbA:22.43"],["3HZN_G_ACTG225_0","OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",3,"PRO B 104;LEU B 105;GLN B  92","None","0.67A","3hznG-2zpbB:undetectable;3hznH-2zpbB:undetectable","3hznG-2zpbB:23.51;3hznH-2zpbB:23.51"],["3W9T_B_W9TB502_1","HEMOLYTIC LECTIN CEL-III","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",4,"GLU B  54;GLY B 168;LEU B  83;GLU B  60","None","1.10A","3w9tB-2zpbB:undetectable","3w9tB-2zpbB:18.41"],["3W9T_E_W9TE502_1","HEMOLYTIC LECTIN CEL-III","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",4,"GLU B  54;GLY B 168;LEU B  83;GLU B  60","None","1.10A","3w9tE-2zpbB:undetectable","3w9tE-2zpbB:18.41"],["3W9T_F_W9TF503_1","HEMOLYTIC LECTIN CEL-III","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",4,"GLU B  54;GLY B 168;LEU B  83;GLU B  60","None","1.14A","3w9tF-2zpbB:undetectable","3w9tF-2zpbB:18.41"],["4DFR_B_MTXB162_1","DIHYDROFOLATE REDUCTASE","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA","Rhodococcus erythropolis",5,"ILE A  94;ALA A  80;LEU A 171;LEU A 195;ILE A 119","None","1.09A","4dfrB-2zpbA:undetectable","4dfrB-2zpbA:22.97"],["4E47_A_SAMA401_0","HISTONE-LYSINE N-METHYLTRANSFERASE SETD7","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"ILE B 167;ALA B 174;GLY B 175;GLU B 176;HIS B 139","None","1.11A","4e47A-2zpbB:undetectable","4e47A-2zpbB:22.69"],["4E47_B_SAMB800_0","HISTONE-LYSINE N-METHYLTRANSFERASE SETD7","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"ILE B 167;ALA B 174;GLY B 175;GLU B 176;HIS B 139","None","1.13A","4e47B-2zpbB:undetectable","4e47B-2zpbB:22.69"],["4E47_C_SAMC800_0","HISTONE-LYSINE N-METHYLTRANSFERASE SETD7","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"ILE B 167;ALA B 174;GLY B 175;GLU B 176;GLY B 206","None","0.89A","4e47C-2zpbB:undetectable","4e47C-2zpbB:22.69"],["4E47_C_SAMC800_0","HISTONE-LYSINE N-METHYLTRANSFERASE SETD7","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"ILE B 167;ALA B 174;GLY B 175;GLU B 176;HIS B 139","None","1.15A","4e47C-2zpbB:undetectable","4e47C-2zpbB:22.69"],["4ENH_A_FVXA602_1","CHOLESTEROL 24-HYDROXYLASE","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"LEU B  35;ALA A  28;ALA B  99;GLY B 101;ALA A  22","None","1.13A","4enhA-2zpbB:undetectable","4enhA-2zpbB:19.52"],["4G10_A_ACTA301_0","GLUTATHIONE S-TRANSFERASE HOMOLOG","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis;Rhodococcus erythropolis",4,"PRO A 123;TYR B  37;TYR B  72;TYR B  76","None","1.18A","4g10A-2zpbA:undetectable","4g10A-2zpbA:20.86"],["4JDS_A_SAMA401_0","HISTONE-LYSINE N-METHYLTRANSFERASE SETD7","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"ILE B 167;ALA B 174;GLY B 175;GLU B 176;HIS B 139","None","1.12A","4jdsA-2zpbB:undetectable","4jdsA-2zpbB:22.69"],["4JDS_B_SAMB401_0","HISTONE-LYSINE N-METHYLTRANSFERASE SETD7","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"ILE B 167;ALA B 174;GLY B 175;GLU B 176;HIS B 139","None","1.12A","4jdsB-2zpbB:undetectable","4jdsB-2zpbB:22.69"],["4JDS_C_SAMC401_0","HISTONE-LYSINE N-METHYLTRANSFERASE SETD7","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"ILE B 167;ALA B 174;GLY B 175;GLU B 176;HIS B 139","None","1.13A","4jdsC-2zpbB:undetectable","4jdsC-2zpbB:22.69"],["4JLG_A_SAMA401_0","HISTONE-LYSINE N-METHYLTRANSFERASE SETD7","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",6,"ILE B 167;ALA B 174;GLY B 175;GLU B 176;GLY B 206;HIS B 139","None","1.14A","4jlgA-2zpbB:undetectable","4jlgA-2zpbB:22.69"],["4JLG_B_SAMB401_0","HISTONE-LYSINE N-METHYLTRANSFERASE SETD7","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"ILE B 167;ALA B 174;GLU B 176;GLY B 206;HIS B 139","None","1.23A","4jlgB-2zpbB:undetectable","4jlgB-2zpbB:22.69"],["4LB2_A_DM5A601_1","SERUM ALBUMIN","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",4,"LEU B  83;VAL B  80;TYR B  57;GLU B  54","None","0.82A","4lb2A-2zpbB:undetectable","4lb2A-2zpbB:15.74"],["4MWX_A_ZMRA513_1","NEURAMINIDASE","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"GLU A 165;ASP B  53;ARG B  56;ALA B 116;GLU B 177","None;None;CSO A 114 ( 3.8A);None;None","1.18A","4mwxA-2zpbA:undetectable","4mwxA-2zpbA:20.33"],["4UG5_A_H4BA902_1","NITRIC OXIDE SYNTHASE OXYGENASE","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",3,"ARG B  56;THR A 115;TRP A 117","CSO A 114 ( 3.8A);CSO A 114 ( 4.0A);None","1.23A","4ug5A-2zpbB:undetectable","4ug5A-2zpbB:22.38"],["5AYF_A_SAMA401_0","HISTONE-LYSINE N-METHYLTRANSFERASE SETD7","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"ILE B 167;ALA B 174;GLY B 175;GLU B 176;GLY B 206","None","0.88A","5ayfA-2zpbB:undetectable","5ayfA-2zpbB:22.18"],["5AYF_A_SAMA401_0","HISTONE-LYSINE N-METHYLTRANSFERASE SETD7","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"ILE B 167;ALA B 174;GLY B 175;GLU B 176;HIS B 139","None","1.16A","5ayfA-2zpbB:undetectable","5ayfA-2zpbB:22.18"],["5E5J_A_017A201_3","PROTEASE;PROTEASE","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",3,"ASP A  30;VAL A  40;LEU B  35","None","0.63A","5e5jB-2zpbA:undetectable","5e5jB-2zpbA:14.15"],["5EWU_A_BEZA1401_0","MAGNESIUM-CHELATASE SUBUNIT CHLH, CHLOROPLASTIC","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",4,"GLY B  79;SER B 106;VAL B  59;HIS B  66","None","1.09A","5ewuA-2zpbB:undetectable","5ewuA-2zpbB:20.67"],["5EWU_B_BEZB1401_0","MAGNESIUM-CHELATASE SUBUNIT CHLH, CHLOROPLASTIC","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",4,"GLY B  79;SER B 106;VAL B  59;HIS B  66","None","1.11A","5ewuB-2zpbB:undetectable","5ewuB-2zpbB:20.67"],["5L17_A_ZMRA512_1","NEURAMINIDASE","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",5,"GLU A 165;ASP B  53;ARG B  56;ALA B 116;GLU B 177","None;None;CSO A 114 ( 3.8A);None;None","1.15A","5l17A-2zpbA:undetectable","5l17A-2zpbA:20.16"],["5ODQ_A_ACTA703_0","HETERODISULFIDE REDUCTASE, SUBUNIT A","2zpb","NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",4,"ALA B 166;PRO B 164;PHE B 204;GLU B 177","None","1.37A","5odqA-2zpbB:undetectable","5odqA-2zpbB:16.13"],["5TIX_B_OQRB302_0","SULFOTRANSFERASE","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA","Rhodococcus erythropolis",5,"PRO A 172;MET A 169;ILE A 119;LEU A 171;VAL A 190","None","1.36A","5tixB-2zpbA:undetectable","5tixB-2zpbA:20.61"],["5X80_D_SALD201_1","UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887;UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA","Rhodococcus erythropolis",4,"PRO A  53;GLY A  56;VAL A 190;ARG A  54","None","1.34A","5x80C-2zpbA:undetectable;5x80D-2zpbA:undetectable","5x80C-2zpbA:21.53;5x80D-2zpbA:21.53"],["6CE2_B_SVRB202_1",";","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis",4,"LEU B  95;LEU B  98;LEU A  34;GLY A  33","None","0.93A","6ce2A-2zpbB:undetectable","6ce2A-2zpbB:15.61"],["6HCX_A_ZMRA519_0","NEURAMINIDASE","2zpb","NITRILE HYDRATASE SUBUNIT ALPHA;NITRILE HYDRATASE SUBUNIT BETA","Rhodococcus erythropolis;Rhodococcus erythropolis",5,"GLU A 165;ASP B  53;ARG B  56;ALA B 116;GLU B 177","None;None;CSO A 114 ( 3.8A);None;None","1.19A","6hcxA-2zpbA:undetectable","6hcxA-2zpbA:15.30"]]