SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'THJ'

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.	1DFO_A_FFOA1002_0 (SERINE HYDROXYMETHYLTRANSFE RASE)	3s4o	PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN (Leishmania major)	5 / 12	LEU A 47 VAL A 60 ALA A 119 SER A 28 PRO A 27	None None THJ A 170 (-3.7A) None None	0.96A	1dfoA-3s4oA: undetectable	1dfoA-3s4oA: 18.69
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.	1DFO_B_FFOB2002_1 (SERINE HYDROXYMETHYLTRANSFE RASE)	3s4o	PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN (Leishmania major)	5 / 12	LEU A 47 VAL A 60 ALA A 119 SER A 28 PRO A 27	None None THJ A 170 (-3.7A) None None	0.96A	1dfoB-3s4oA: undetectable	1dfoB-3s4oA: 18.69
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.	1DFO_C_FFOC3002_1 (SERINE HYDROXYMETHYLTRANSFE RASE)	3s4o	PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN (Leishmania major)	5 / 12	LEU A 47 VAL A 60 ALA A 119 SER A 28 PRO A 27	None None THJ A 170 (-3.7A) None None	0.95A	1dfoC-3s4oA: undetectable	1dfoC-3s4oA: 18.69
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.	1DFO_D_FFOD4002_1 (SERINE HYDROXYMETHYLTRANSFE RASE)	3s4o	PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN (Leishmania major)	5 / 12	LEU A 47 VAL A 60 ALA A 119 SER A 28 PRO A 27	None None THJ A 170 (-3.7A) None None	0.96A	1dfoD-3s4oA: undetectable	1dfoD-3s4oA: 18.69
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.	1EQB_A_FFOA1293_0 (SERINE HYDROXYMETHYLTRANSFE RASE)	3s4o	PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN (Leishmania major)	5 / 12	LEU A 47 VAL A 60 ALA A 119 SER A 28 PRO A 27	None None THJ A 170 (-3.7A) None None	0.96A	1eqbA-3s4oA: undetectable	1eqbA-3s4oA: 18.69
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.	1EQB_B_FFOB2293_1 (SERINE HYDROXYMETHYLTRANSFE RASE)	3s4o	PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN (Leishmania major)	5 / 12	LEU A 47 VAL A 60 ALA A 119 SER A 28 PRO A 27	None None THJ A 170 (-3.7A) None None	0.96A	1eqbB-3s4oA: undetectable	1eqbB-3s4oA: 18.69
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.	1EQB_C_FFOC3293_1 (SERINE HYDROXYMETHYLTRANSFE RASE)	3s4o	PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN (Leishmania major)	5 / 12	LEU A 47 VAL A 60 ALA A 119 SER A 28 PRO A 27	None None THJ A 170 (-3.7A) None None	0.95A	1eqbC-3s4oA: undetectable	1eqbC-3s4oA: 18.69
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.	1EQB_D_FFOD4293_1 (SERINE HYDROXYMETHYLTRANSFE RASE)	3s4o	PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN (Leishmania major)	5 / 12	LEU A 47 VAL A 60 ALA A 119 SER A 28 PRO A 27	None None THJ A 170 (-3.7A) None None	0.95A	1eqbD-3s4oA: undetectable	1eqbD-3s4oA: 18.69
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.	1QAO_A_SAMA245_0 (ERMC' METHYLTRANSFERASE)	3ged	SHORT-CHAIN DEHYDROGENASE/REDUCT ASE SDR (Ruminiclostridiu m thermocellum)	5 / 12	GLY A 9 GLY A 11 ILE A 34 ASP A 35 ASP A 55	THJ A 249 (-3.4A) None THJ A 249 (-4.5A) None None	0.65A	1qaoA-3gedA: 5.6	1qaoA-3gedA: 19.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1STF_E_CCSE25_0 (PAPAIN STEFIN B (CYSTATIN B))	1cqd	PROTEIN (PROTEASE II) (Zingiber officinale)	7 / 10	GLN A 21 GLY A 25 SER A 26 PHE A 30 SER A 31 ALA A 162 GLY A 67	THJ A 800 (-3.2A) THJ A 800 (-3.1A) None None None None THJ A 800 ( 4.6A)	1.17A	1stfE-1cqdA: 37.6 1stfI-1cqdA: 0.9	1stfE-1cqdA: 48.20 1stfI-1cqdA: 19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1STF_E_CCSE25_0 (PAPAIN STEFIN B (CYSTATIN B))	1cqd	PROTEIN (PROTEASE II) (Zingiber officinale)	8 / 10	GLN A 21 GLY A 25 SER A 26 TRP A 28 PHE A 30 SER A 31 HIS A 161 ALA A 162	THJ A 800 (-3.2A) THJ A 800 (-3.1A) None None None None THJ A 800 ( 3.9A) None	0.33A	1stfE-1cqdA: 37.6 1stfI-1cqdA: 0.9	1stfE-1cqdA: 48.20 1stfI-1cqdA: 19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1STF_E_CCSE25_0 (PAPAIN STEFIN B (CYSTATIN B))	1iwd	ERVATAMIN B (Tabernaemontana divaricata)	6 / 10	GLN A 19 GLY A 23 SER A 24 PHE A 28 SER A 29 GLY A 65	THJ A 601 (-3.6A) THJ A 601 (-3.0A) None None None THJ A 601 (-3.6A)	1.15A	1stfE-1iwdA: 37.1 1stfI-1iwdA: undetectable	1stfE-1iwdA: 48.18 1stfI-1iwdA: 17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1STF_E_CCSE25_0 (PAPAIN STEFIN B (CYSTATIN B))	1iwd	ERVATAMIN B (Tabernaemontana divaricata)	7 / 10	GLN A 19 GLY A 23 SER A 24 TRP A 26 PHE A 28 SER A 29 HIS A 158	THJ A 601 (-3.6A) THJ A 601 (-3.0A) None None None None THJ A 601 (-4.6A)	0.19A	1stfE-1iwdA: 37.1 1stfI-1iwdA: undetectable	1stfE-1iwdA: 48.18 1stfI-1iwdA: 17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1STF_E_CCSE25_0 (PAPAIN STEFIN B (CYSTATIN B))	1o0e	ERVATAMIN C (Tabernaemontana divaricata)	7 / 10	GLN A 19 GLY A 23 SER A 24 TRP A 26 PHE A 28 SER A 29 HIS A 157	THJ A 601 ( 3.8A) THJ A 601 (-2.9A) None None None None THJ A 601 (-3.8A)	0.52A	1stfE-1o0eA: 25.6 1stfI-1o0eA: undetectable	1stfE-1o0eA: 49.77 1stfI-1o0eA: 18.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1STF_E_CCSE25_0 (PAPAIN STEFIN B (CYSTATIN B))	2pns	ERVATAMIN-C, A PAPAIN-LIKE PLANT CYSTEINE PROTEASE (Tabernaemontana divaricata)	7 / 10	GLN A 19 GLY A 23 SER A 24 TRP A 26 PHE A 28 SER A 29 HIS A 157	THJ A 601 (-2.1A) THJ A 601 (-2.5A) None THJ A 601 (-4.8A) None None THJ A 601 ( 4.7A)	0.49A	1stfE-2pnsA: 24.5 1stfI-2pnsA: undetectable	1stfE-2pnsA: 49.31 1stfI-2pnsA: 17.54
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.	2Q6O_A_SAMA500_0 (HYPOTHETICAL PROTEIN)	3ged	SHORT-CHAIN DEHYDROGENASE/REDUCT ASE SDR (Ruminiclostridiu m thermocellum)	4 / 7	VAL A 105 ALA A 83 PRO A 59 THR A 61	None THJ A 249 ( 4.1A) None None	1.07A	2q6oA-3gedA: undetectable	2q6oA-3gedA: 22.92
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.	2QE6_A_SAMA400_0 (UNCHARACTERIZED PROTEIN TFU_2867)	3ged	SHORT-CHAIN DEHYDROGENASE/REDUCT ASE SDR (Ruminiclostridiu m thermocellum)	5 / 12	GLY A 9 GLY A 11 ILE A 34 ASP A 55 VAL A 56	THJ A 249 (-3.4A) None THJ A 249 (-4.5A) None None	0.79A	2qe6A-3gedA: 6.8	2qe6A-3gedA: 23.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3AI8_A_HNQA255_1 (CATHEPSIN B)	1cqd	PROTEIN (PROTEASE II) (Zingiber officinale)	4 / 7	GLN A 21 GLY A 25 HIS A 161 TRP A 183	THJ A 800 (-3.2A) THJ A 800 (-3.1A) THJ A 800 ( 3.9A) None	0.37A	3ai8A-1cqdA: 27.5	3ai8A-1cqdA: 31.11
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.	3AI8_A_HNQA255_1 (CATHEPSIN B)	1iwd	ERVATAMIN B (Tabernaemontana divaricata)	4 / 7	GLN A 19 GLY A 23 HIS A 158 TRP A 180	THJ A 601 (-3.6A) THJ A 601 (-3.0A) THJ A 601 (-4.6A) None	0.48A	3ai8A-1iwdA: 27.0	3ai8A-1iwdA: 27.97
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.	3AI8_A_HNQA255_1 (CATHEPSIN B)	1o0e	ERVATAMIN C (Tabernaemontana divaricata)	4 / 7	GLN A 19 GLY A 23 HIS A 157 TRP A 175	THJ A 601 ( 3.8A) THJ A 601 (-2.9A) THJ A 601 (-3.8A) None	0.35A	3ai8A-1o0eA: 26.4	3ai8A-1o0eA: 28.68
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.	3AI8_A_HNQA255_1 (CATHEPSIN B)	2pns	ERVATAMIN-C, A PAPAIN-LIKE PLANT CYSTEINE PROTEASE (Tabernaemontana divaricata)	4 / 7	GLN A 19 GLY A 23 HIS A 157 TRP A 175	THJ A 601 (-2.1A) THJ A 601 (-2.5A) THJ A 601 ( 4.7A) None	0.47A	3ai8A-2pnsA: 26.4	3ai8A-2pnsA: 28.57
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.	3AY0_B_ADNB402_1 (UNCHARACTERIZED PROTEIN MJ0883)	3ged	SHORT-CHAIN DEHYDROGENASE/REDUCT ASE SDR (Ruminiclostridiu m thermocellum)	5 / 10	GLY A 10 ASP A 33 ILE A 34 ASP A 55 VAL A 56	None None THJ A 249 (-4.5A) None None	0.95A	3ay0B-3gedA: 6.5	3ay0B-3gedA: 22.71
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.	3AY0_B_ADNB402_1 (UNCHARACTERIZED PROTEIN MJ0883)	3ged	SHORT-CHAIN DEHYDROGENASE/REDUCT ASE SDR (Ruminiclostridiu m thermocellum)	5 / 10	GLY A 11 ASP A 33 ILE A 34 ASP A 55 VAL A 56	None None THJ A 249 (-4.5A) None None	0.72A	3ay0B-3gedA: 6.5	3ay0B-3gedA: 22.71
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.	3CCF_A_BEZA261_0 (CYCLOPROPANE-FATTY-A CYL-PHOSPHOLIPID SYNTHASE)	2pns	ERVATAMIN-C, A PAPAIN-LIKE PLANT CYSTEINE PROTEASE (Tabernaemontana divaricata)	4 / 8	HIS A 61 GLY A 66 ASN A 60 TYR A 70	None THJ A 601 (-4.5A) None None	1.25A	3ccfA-2pnsA: undetectable	3ccfA-2pnsA: 20.14
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.	3DMF_A_SAMA388_0 (PROBABLE RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE)	3ged	SHORT-CHAIN DEHYDROGENASE/REDUCT ASE SDR (Ruminiclostridiu m thermocellum)	5 / 12	GLY A 9 GLY A 11 ASP A 55 VAL A 56 VAL A 105	THJ A 249 (-3.4A) None None None None	1.12A	3dmfA-3gedA: 7.6	3dmfA-3gedA: 20.36
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.	4IV8_A_SAMA301_0 (PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE, PUTATIVE)	3ged	SHORT-CHAIN DEHYDROGENASE/REDUCT ASE SDR (Ruminiclostridiu m thermocellum)	5 / 12	GLY A 9 GLY A 11 ASP A 33 ILE A 34 ASP A 55	THJ A 249 (-3.4A) None None THJ A 249 (-4.5A) None	0.49A	4iv8A-3gedA: 7.2	4iv8A-3gedA: 23.38
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.	4IV8_B_SAMB301_0 (PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE, PUTATIVE)	3ged	SHORT-CHAIN DEHYDROGENASE/REDUCT ASE SDR (Ruminiclostridiu m thermocellum)	5 / 12	GLY A 9 GLY A 11 ASP A 33 ILE A 34 ASP A 55	THJ A 249 (-3.4A) None None THJ A 249 (-4.5A) None	0.49A	4iv8B-3gedA: 7.2	4iv8B-3gedA: 23.38
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.	4KIC_A_SAMA401_0 (METHYLTRANSFERASE MPPJ)	1cqd	PROTEIN (PROTEASE II) (Zingiber officinale)	5 / 12	GLY A 64 GLY A 25 ARG A 66 ALA A 29 ASP A 57	None THJ A 800 (-3.1A) None None None	1.09A	4kicA-1cqdA: undetectable	4kicA-1cqdA: 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.	5IEN_B_VDYB201_2 (CDL2.2)	3ged	SHORT-CHAIN DEHYDROGENASE/REDUCT ASE SDR (Ruminiclostridiu m thermocellum)	5 / 12	LEU A 62 PHE A 65 LEU A 113 ILE A 129 ALA A 83	None None None None THJ A 249 ( 4.1A)	1.19A	5ienB-3gedA: undetectable	5ienB-3gedA: 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.	5WY0_A_SAMA800_0 (SMALL RNA 2'-O-METHYLTRANSFERA SE)	3ged	SHORT-CHAIN DEHYDROGENASE/REDUCT ASE SDR (Ruminiclostridiu m thermocellum)	5 / 12	GLY A 9 GLY A 11 ASP A 33 ILE A 34 ILE A 14	THJ A 249 (-3.4A) None None THJ A 249 (-4.5A) None	0.73A	5wy0A-3gedA: 2.4	5wy0A-3gedA: 21.03
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.	5WY0_A_SAMA800_0 (SMALL RNA 2'-O-METHYLTRANSFERA SE)	3ged	SHORT-CHAIN DEHYDROGENASE/REDUCT ASE SDR (Ruminiclostridiu m thermocellum)	5 / 12	GLY A 9 GLY A 11 ASP A 33 ILE A 34 VAL A 56	THJ A 249 (-3.4A) None None THJ A 249 (-4.5A) None	0.73A	5wy0A-3gedA: 2.4	5wy0A-3gedA: 21.03
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.	6BQ4_A_ADNA401_1 (THERMOSPERMINE SYNTHASE ACAULIS PROTEIN)	3ged	SHORT-CHAIN DEHYDROGENASE/REDUCT ASE SDR (Ruminiclostridiu m thermocellum)	5 / 12	GLY A 9 ASP A 33 ILE A 34 ASP A 35 ASP A 55	THJ A 249 (-3.4A) None THJ A 249 (-4.5A) None None	0.59A	6bq4A-3gedA: 6.3	6bq4A-3gedA: 15.79
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.	6BQ4_B_ADNB401_1 (THERMOSPERMINE SYNTHASE ACAULIS PROTEIN)	3ged	SHORT-CHAIN DEHYDROGENASE/REDUCT ASE SDR (Ruminiclostridiu m thermocellum)	5 / 12	GLY A 9 ASP A 33 ILE A 34 ASP A 35 ASP A 55	THJ A 249 (-3.4A) None THJ A 249 (-4.5A) None None	0.53A	6bq4B-3gedA: 6.9	6bq4B-3gedA: 15.79

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1DFO_A_FFOA1002_0","SERINE HYDROXYMETHYLTRANSFERASE","3s4o","PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN","Leishmania major",5,"LEU A  47;VAL A  60;ALA A 119;SER A  28;PRO A  27","None;None;THJ A 170 (-3.7A);None;None","0.96A","1dfoA-3s4oA:undetectable",null],["1DFO_B_FFOB2002_1","SERINE HYDROXYMETHYLTRANSFERASE","3s4o","PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN","Leishmania major",5,"LEU A  47;VAL A  60;ALA A 119;SER A  28;PRO A  27","None;None;THJ A 170 (-3.7A);None;None","0.96A","1dfoB-3s4oA:undetectable","1dfoA-3s4oA:18.69"],["1DFO_C_FFOC3002_1","SERINE HYDROXYMETHYLTRANSFERASE","3s4o","PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN","Leishmania major",5,"LEU A  47;VAL A  60;ALA A 119;SER A  28;PRO A  27","None;None;THJ A 170 (-3.7A);None;None","0.95A","1dfoC-3s4oA:undetectable","1dfoB-3s4oA:18.69"],["1DFO_D_FFOD4002_1","SERINE HYDROXYMETHYLTRANSFERASE","3s4o","PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN","Leishmania major",5,"LEU A  47;VAL A  60;ALA A 119;SER A  28;PRO A  27","None;None;THJ A 170 (-3.7A);None;None","0.96A","1dfoD-3s4oA:undetectable","1dfoC-3s4oA:18.69"],["1EQB_A_FFOA1293_0","SERINE HYDROXYMETHYLTRANSFERASE","3s4o","PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN","Leishmania major",5,"LEU A  47;VAL A  60;ALA A 119;SER A  28;PRO A  27","None;None;THJ A 170 (-3.7A);None;None","0.96A","1eqbA-3s4oA:undetectable","1dfoD-3s4oA:18.69"],["1EQB_B_FFOB2293_1","SERINE HYDROXYMETHYLTRANSFERASE","3s4o","PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN","Leishmania major",5,"LEU A  47;VAL A  60;ALA A 119;SER A  28;PRO A  27","None;None;THJ A 170 (-3.7A);None;None","0.96A","1eqbB-3s4oA:undetectable","1eqbA-3s4oA:18.69"],["1EQB_C_FFOC3293_1","SERINE HYDROXYMETHYLTRANSFERASE","3s4o","PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN","Leishmania major",5,"LEU A  47;VAL A  60;ALA A 119;SER A  28;PRO A  27","None;None;THJ A 170 (-3.7A);None;None","0.95A","1eqbC-3s4oA:undetectable","1eqbB-3s4oA:18.69"],["1EQB_D_FFOD4293_1","SERINE HYDROXYMETHYLTRANSFERASE","3s4o","PROTEIN TYROSINE PHOSPHATASE-LIKE PROTEIN","Leishmania major",5,"LEU A  47;VAL A  60;ALA A 119;SER A  28;PRO A  27","None;None;THJ A 170 (-3.7A);None;None","0.95A","1eqbD-3s4oA:undetectable","1eqbC-3s4oA:18.69"],["1QAO_A_SAMA245_0","ERMC' METHYLTRANSFERASE","3ged","SHORT-CHAIN DEHYDROGENASE\/REDUCTASE SDR","Ruminiclostridium thermocellum",5,"GLY A   9;GLY A  11;ILE A  34;ASP A  35;ASP A  55","THJ A 249 (-3.4A);None;THJ A 249 (-4.5A);None;None","0.65A","1qaoA-3gedA:5.6","1eqbD-3s4oA:18.69"],["1STF_E_CCSE25_0","PAPAIN;STEFIN B (CYSTATIN B)","1cqd","PROTEIN (PROTEASE II)","Zingiber officinale",7,"GLN A  21;GLY A  25;SER A  26;PHE A  30;SER A  31;ALA A 162;GLY A  67","THJ A 800 (-3.2A);THJ A 800 (-3.1A);None;None;None;None;THJ A 800 ( 4.6A)","1.17A","1stfE-1cqdA:37.6;1stfI-1cqdA:0.9","1qaoA-3gedA:19.85"],["1STF_E_CCSE25_0","PAPAIN;STEFIN B (CYSTATIN B)","1cqd","PROTEIN (PROTEASE II)","Zingiber officinale",8,"GLN A  21;GLY A  25;SER A  26;TRP A  28;PHE A  30;SER A  31;HIS A 161;ALA A 162","THJ A 800 (-3.2A);THJ A 800 (-3.1A);None;None;None;None;THJ A 800 ( 3.9A);None","0.33A","1stfE-1cqdA:37.6;1stfI-1cqdA:0.9","1stfE-1cqdA:48.20;1stfI-1cqdA:19.35"],["1STF_E_CCSE25_0","PAPAIN;STEFIN B (CYSTATIN B)","1iwd","ERVATAMIN B","Tabernaemontana divaricata",6,"GLN A  19;GLY A  23;SER A  24;PHE A  28;SER A  29;GLY A  65","THJ A 601 (-3.6A);THJ A 601 (-3.0A);None;None;None;THJ A 601 (-3.6A)","1.15A","1stfE-1iwdA:37.1;1stfI-1iwdA:undetectable","1stfE-1cqdA:48.20;1stfI-1cqdA:19.35"],["1STF_E_CCSE25_0","PAPAIN;STEFIN B (CYSTATIN B)","1iwd","ERVATAMIN B","Tabernaemontana divaricata",7,"GLN A  19;GLY A  23;SER A  24;TRP A  26;PHE A  28;SER A  29;HIS A 158","THJ A 601 (-3.6A);THJ A 601 (-3.0A);None;None;None;None;THJ A 601 (-4.6A)","0.19A","1stfE-1iwdA:37.1;1stfI-1iwdA:undetectable","1stfE-1iwdA:48.18;1stfI-1iwdA:17.67"],["1STF_E_CCSE25_0","PAPAIN;STEFIN B (CYSTATIN B)","1o0e","ERVATAMIN C","Tabernaemontana divaricata",7,"GLN A  19;GLY A  23;SER A  24;TRP A  26;PHE A  28;SER A  29;HIS A 157","THJ A 601 ( 3.8A);THJ A 601 (-2.9A);None;None;None;None;THJ A 601 (-3.8A)","0.52A","1stfE-1o0eA:25.6;1stfI-1o0eA:undetectable","1stfE-1iwdA:48.18;1stfI-1iwdA:17.67"],["1STF_E_CCSE25_0","PAPAIN;STEFIN B (CYSTATIN B)","2pns","ERVATAMIN-C, A PAPAIN-LIKE PLANT CYSTEINE PROTEASE","Tabernaemontana divaricata",7,"GLN A  19;GLY A  23;SER A  24;TRP A  26;PHE A  28;SER A  29;HIS A 157","THJ A 601 (-2.1A);THJ A 601 (-2.5A);None;THJ A 601 (-4.8A);None;None;THJ A 601 ( 4.7A)","0.49A","1stfE-2pnsA:24.5;1stfI-2pnsA:undetectable","1stfE-1o0eA:49.77;1stfI-1o0eA:18.18"],["2Q6O_A_SAMA500_0","HYPOTHETICAL PROTEIN","3ged","SHORT-CHAIN DEHYDROGENASE\/REDUCTASE SDR","Ruminiclostridium thermocellum",4,"VAL A 105;ALA A  83;PRO A  59;THR A  61","None;THJ A 249 ( 4.1A);None;None","1.07A","2q6oA-3gedA:undetectable","1stfE-2pnsA:49.31;1stfI-2pnsA:17.54"],["2QE6_A_SAMA400_0","UNCHARACTERIZED PROTEIN TFU_2867","3ged","SHORT-CHAIN DEHYDROGENASE\/REDUCTASE SDR","Ruminiclostridium thermocellum",5,"GLY A   9;GLY A  11;ILE A  34;ASP A  55;VAL A  56","THJ A 249 (-3.4A);None;THJ A 249 (-4.5A);None;None","0.79A","2qe6A-3gedA:6.8","2q6oA-3gedA:22.92"],["3AI8_A_HNQA255_1","CATHEPSIN B","1cqd","PROTEIN (PROTEASE II)","Zingiber officinale",4,"GLN A  21;GLY A  25;HIS A 161;TRP A 183","THJ A 800 (-3.2A);THJ A 800 (-3.1A);THJ A 800 ( 3.9A);None","0.37A","3ai8A-1cqdA:27.5","2qe6A-3gedA:23.33"],["3AI8_A_HNQA255_1","CATHEPSIN B","1iwd","ERVATAMIN B","Tabernaemontana divaricata",4,"GLN A  19;GLY A  23;HIS A 158;TRP A 180","THJ A 601 (-3.6A);THJ A 601 (-3.0A);THJ A 601 (-4.6A);None","0.48A","3ai8A-1iwdA:27.0","3ai8A-1cqdA:31.11"],["3AI8_A_HNQA255_1","CATHEPSIN B","1o0e","ERVATAMIN C","Tabernaemontana divaricata",4,"GLN A  19;GLY A  23;HIS A 157;TRP A 175","THJ A 601 ( 3.8A);THJ A 601 (-2.9A);THJ A 601 (-3.8A);None","0.35A","3ai8A-1o0eA:26.4","3ai8A-1iwdA:27.97"],["3AI8_A_HNQA255_1","CATHEPSIN B","2pns","ERVATAMIN-C, A PAPAIN-LIKE PLANT CYSTEINE PROTEASE","Tabernaemontana divaricata",4,"GLN A  19;GLY A  23;HIS A 157;TRP A 175","THJ A 601 (-2.1A);THJ A 601 (-2.5A);THJ A 601 ( 4.7A);None","0.47A","3ai8A-2pnsA:26.4","3ai8A-1o0eA:28.68"],["3AY0_B_ADNB402_1","UNCHARACTERIZED PROTEIN MJ0883","3ged","SHORT-CHAIN DEHYDROGENASE\/REDUCTASE SDR","Ruminiclostridium thermocellum",5,"GLY A  10;ASP A  33;ILE A  34;ASP A  55;VAL A  56","None;None;THJ A 249 (-4.5A);None;None","0.95A","3ay0B-3gedA:6.5","3ai8A-2pnsA:28.57"],["3AY0_B_ADNB402_1","UNCHARACTERIZED PROTEIN MJ0883","3ged","SHORT-CHAIN DEHYDROGENASE\/REDUCTASE SDR","Ruminiclostridium thermocellum",5,"GLY A  11;ASP A  33;ILE A  34;ASP A  55;VAL A  56","None;None;THJ A 249 (-4.5A);None;None","0.72A","3ay0B-3gedA:6.5","3ay0B-3gedA:22.71"],["3CCF_A_BEZA261_0","CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE","2pns","ERVATAMIN-C, A PAPAIN-LIKE PLANT CYSTEINE PROTEASE","Tabernaemontana divaricata",4,"HIS A  61;GLY A  66;ASN A  60;TYR A  70","None;THJ A 601 (-4.5A);None;None","1.25A","3ccfA-2pnsA:undetectable","3ay0B-3gedA:22.71"],["3DMF_A_SAMA388_0","PROBABLE RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE","3ged","SHORT-CHAIN DEHYDROGENASE\/REDUCTASE SDR","Ruminiclostridium thermocellum",5,"GLY A   9;GLY A  11;ASP A  55;VAL A  56;VAL A 105","THJ A 249 (-3.4A);None;None;None;None","1.12A","3dmfA-3gedA:7.6","3ccfA-2pnsA:20.14"],["4IV8_A_SAMA301_0","PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE,PUTATIVE","3ged","SHORT-CHAIN DEHYDROGENASE\/REDUCTASE SDR","Ruminiclostridium thermocellum",5,"GLY A   9;GLY A  11;ASP A  33;ILE A  34;ASP A  55","THJ A 249 (-3.4A);None;None;THJ A 249 (-4.5A);None","0.49A","4iv8A-3gedA:7.2","3dmfA-3gedA:20.36"],["4IV8_B_SAMB301_0","PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE,PUTATIVE","3ged","SHORT-CHAIN DEHYDROGENASE\/REDUCTASE SDR","Ruminiclostridium thermocellum",5,"GLY A   9;GLY A  11;ASP A  33;ILE A  34;ASP A  55","THJ A 249 (-3.4A);None;None;THJ A 249 (-4.5A);None","0.49A","4iv8B-3gedA:7.2","4iv8A-3gedA:23.38"],["4KIC_A_SAMA401_0","METHYLTRANSFERASE MPPJ","1cqd","PROTEIN (PROTEASE II)","Zingiber officinale",5,"GLY A  64;GLY A  25;ARG A  66;ALA A  29;ASP A  57","None;THJ A 800 (-3.1A);None;None;None","1.09A","4kicA-1cqdA:undetectable","4iv8B-3gedA:23.38"],["5IEN_B_VDYB201_2","CDL2.2","3ged","SHORT-CHAIN DEHYDROGENASE\/REDUCTASE SDR","Ruminiclostridium thermocellum",5,"LEU A  62;PHE A  65;LEU A 113;ILE A 129;ALA A  83","None;None;None;None;THJ A 249 ( 4.1A)","1.19A","5ienB-3gedA:undetectable","4kicA-1cqdA:19.37"],["5WY0_A_SAMA800_0","SMALL RNA 2'-O-METHYLTRANSFERASE","3ged","SHORT-CHAIN DEHYDROGENASE\/REDUCTASE SDR","Ruminiclostridium thermocellum",5,"GLY A   9;GLY A  11;ASP A  33;ILE A  34;ILE A  14","THJ A 249 (-3.4A);None;None;THJ A 249 (-4.5A);None","0.73A","5wy0A-3gedA:2.4","5ienB-3gedA:20.00"],["5WY0_A_SAMA800_0","SMALL RNA 2'-O-METHYLTRANSFERASE","3ged","SHORT-CHAIN DEHYDROGENASE\/REDUCTASE SDR","Ruminiclostridium thermocellum",5,"GLY A   9;GLY A  11;ASP A  33;ILE A  34;VAL A  56","THJ A 249 (-3.4A);None;None;THJ A 249 (-4.5A);None","0.73A","5wy0A-3gedA:2.4","5wy0A-3gedA:21.03"],["6BQ4_A_ADNA401_1","THERMOSPERMINE SYNTHASE ACAULIS PROTEIN","3ged","SHORT-CHAIN DEHYDROGENASE\/REDUCTASE SDR","Ruminiclostridium thermocellum",5,"GLY A   9;ASP A  33;ILE A  34;ASP A  35;ASP A  55","THJ A 249 (-3.4A);None;THJ A 249 (-4.5A);None;None","0.59A","6bq4A-3gedA:6.3","5wy0A-3gedA:21.03"],["6BQ4_B_ADNB401_1","THERMOSPERMINE SYNTHASE ACAULIS PROTEIN","3ged","SHORT-CHAIN DEHYDROGENASE\/REDUCTASE SDR","Ruminiclostridium thermocellum",5,"GLY A   9;ASP A  33;ILE A  34;ASP A  35;ASP A  55","THJ A 249 (-3.4A);None;THJ A 249 (-4.5A);None;None","0.53A","6bq4B-3gedA:6.9","6bq4A-3gedA:15.79"]]