SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CAA'

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.	1CRB_A_RTLA200_0 (CELLULAR RETINOL BINDING PROTEIN)	2gd2	PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR (Mycobacterium tuberculosis)	5 / 12	LEU A 94 LEU A 61 ALA A 70 LEU A 73 ILE A 168	None CAA A1751 (-3.9A) None None None	1.16A	1crbA-2gd2A: undetectable	1crbA-2gd2A: 17.70
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.	1DZM_A_BZMA600_0 (ODORANT-BINDING PROTEIN)	1jqi	SHORT CHAIN ACYL-COA DEHYDROGENASE (Rattus norvegicus)	4 / 8	ILE A 251 ASN A 164 GLY A 247 LEU A 244	None None None CAA A 400 (-4.1A)	0.99A	1dzmA-1jqiA: undetectable	1dzmA-1jqiA: 18.82
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.	1EQG_A_IBPA701_1 (PROSTAGLANDIN H2 SYNTHASE-1)	1buc	BUTYRYL-COA DEHYDROGENASE (Megasphaera elsdenii)	5 / 9	TYR A 366 ILE A 88 ALA A 92 SER A 95 LEU A 96	CAA A 384 (-4.1A) None CAA A 384 ( 4.2A) None CAA A 384 (-4.7A)	1.07A	1eqgA-1bucA: 0.3	1eqgA-1bucA: 19.90
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.	1EQG_B_IBPB1701_1 (PROSTAGLANDIN H2 SYNTHASE-1)	1buc	BUTYRYL-COA DEHYDROGENASE (Megasphaera elsdenii)	5 / 11	TYR A 366 ILE A 88 ALA A 92 SER A 95 LEU A 96	CAA A 384 (-4.1A) None CAA A 384 ( 4.2A) None CAA A 384 (-4.7A)	1.10A	1eqgB-1bucA: 0.2	1eqgB-1bucA: 19.90
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.	1FIQ_C_SALC1335_1 (XANTHINE OXIDASE)	1q51	MENB (Mycobacterium tuberculosis)	5 / 8	LEU A 165 PHE A 52 THR A 65 VAL A 66 ALA A 60	None None None None CAA A 501 ( 3.7A)	1.39A	1fiqC-1q51A: undetectable	1fiqC-1q51A: 18.36
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.	1FO4_A_SALA3005_1 (XANTHINE DEHYDROGENASE)	1q51	MENB (Mycobacterium tuberculosis)	5 / 9	LEU A 165 PHE A 52 THR A 65 VAL A 66 ALA A 60	None None None None CAA A 501 ( 3.7A)	1.37A	1fo4A-1q51A: 0.0	1fo4A-1q51A: 13.11
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.	1N4F_A_ASRA141_0 (LYSOZYME C)	2uzf	NAPHTHOATE SYNTHASE (Staphylococcus aureus)	4 / 6	ASP A 76 GLY A 75 THR A 38 PRO A 39	None CAA A1274 (-3.1A) None None	0.96A	1n4fA-2uzfA: undetectable	1n4fA-2uzfA: 19.09
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.	1Q23_I_FUAI707_1 (CHLORAMPHENICOL ACETYLTRANSFERASE)	1ee0	2-PYRONE SYNTHASE (Gerbera hybrid cultivar)	3 / 3	VAL A 215 ALA A 216 HIS A 204	CAA A 600 (-4.9A) None None	0.68A	1q23G-1ee0A: 0.1	1q23G-1ee0A: 18.34
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.	1Q23_L_FUAL710_1 (CHLORAMPHENICOL ACETYLTRANSFERASE)	1ee0	2-PYRONE SYNTHASE (Gerbera hybrid cultivar)	3 / 3	VAL A 215 ALA A 216 HIS A 204	CAA A 600 (-4.9A) None None	0.72A	1q23J-1ee0A: 0.0	1q23J-1ee0A: 18.34
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.	1SKX_A_RFPA1_2 (ORPHAN NUCLEAR RECEPTOR PXR)	5hwq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Myxococcus xanthus)	4 / 5	LYS A 259 PHE A 348 LEU A 213 LEU A 322	CAA A 501 (-2.7A) None None None	1.21A	1skxA-5hwqA: undetectable	1skxA-5hwqA: 21.94
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.	2HMA_A_SAMA375_0 (PROBABLE TRNA (5-METHYLAMINOMETHYL -2-THIOURIDYLATE)-ME THYLTRANSFERASE)	5lnq	3-KETOACYL-COA THIOLASE-LIKE PROTEIN (Leishmania mexicana)	5 / 11	GLY A 394 SER A 125 THR A 393 HIS A 388 PHE A 341	None None None CAA A 501 (-4.1A) CAA A 501 ( 4.6A)	1.44A	2hmaA-5lnqA: undetectable	2hmaA-5lnqA: 21.89
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.	2NXE_A_SAMA302_1 (RIBOSOMAL PROTEIN L11 METHYLTRANSFERASE)	2ix5	ACYL-COENZYME A OXIDASE 4, PEROXISOMAL (Arabidopsis thaliana)	3 / 3	THR A 224 ASP A 279 SER A 281	None None CAA A1432 ( 4.7A)	0.57A	2nxeA-2ix5A: undetectable	2nxeA-2ix5A: 21.55
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.	2NXE_B_SAMB303_1 (RIBOSOMAL PROTEIN L11 METHYLTRANSFERASE)	2ix5	ACYL-COENZYME A OXIDASE 4, PEROXISOMAL (Arabidopsis thaliana)	3 / 3	THR A 224 ASP A 279 SER A 281	None None CAA A1432 ( 4.7A)	0.62A	2nxeB-2ix5A: undetectable	2nxeB-2ix5A: 21.55
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.	2NYR_B_SVRB401_3 (NAD-DEPENDENT DEACETYLASE SIRTUIN-5)	1ee0	2-PYRONE SYNTHASE (Gerbera hybrid cultivar)	5 / 12	ILE A 314 HIS A 308 PHE A 220 GLY A 221 LEU A 348	None None CAA A 600 (-4.6A) None None	0.95A	2nyrB-1ee0A: undetectable	2nyrB-1ee0A: 22.14
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.	2O4N_A_TPVA300_2 (PROTEASE)	1dub	2-ENOYL-COA HYDRATASE (Rattus norvegicus)	5 / 8	ARG A 197 LEU A 139 ILE A 100 GLY A 168 ILE A 165	CAA A 300 ( 4.8A) None CAA A 300 (-4.2A) None None	1.21A	2o4nB-1dubA: undetectable	2o4nB-1dubA: 16.86
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.	2OAX_D_SNLD4001_2 (MINERALOCORTICOID RECEPTOR)	5lnq	3-KETOACYL-COA THIOLASE-LIKE PROTEIN (Leishmania mexicana)	4 / 5	LEU A 165 LEU A 185 MET A 426 CYH A 258	CAA A 501 (-3.4A) None CAA A 501 (-4.8A) CAA A 501 (-3.8A)	1.10A	2oaxD-5lnqA: undetectable	2oaxD-5lnqA: 20.97
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.	2Q63_A_1UNA1001_1 (PROTEASE RETROPEPSIN)	2gd2	PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR (Mycobacterium tuberculosis)	6 / 12	LEU A 73 GLY A 66 ALA A 59 ASP A 60 VAL A 11 ILE A 36	None None None CAA A1751 ( 4.7A) None None	1.39A	2q63A-2gd2A: undetectable	2q63A-2gd2A: 14.97
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.	2XFH_A_CL6A1414_1 (ERYTHROMYCIN B/D C-12 HYDROXYLASE)	2gd2	PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR (Mycobacterium tuberculosis)	5 / 8	LEU A 61 ILE A 36 LEU A 13 THR A 89 LEU A 92	CAA A1751 (-3.9A) None None None CAA A1751 (-4.2A)	1.22A	2xfhA-2gd2A: undetectable	2xfhA-2gd2A: 22.94
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.	2XFH_A_CL6A1414_1 (ERYTHROMYCIN B/D C-12 HYDROXYLASE)	2gd2	PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR (Mycobacterium tuberculosis)	5 / 8	LEU A 61 ILE A 36 LEU A 13 THR A 89 LEU A 94	CAA A1751 (-3.9A) None None None None	1.44A	2xfhA-2gd2A: undetectable	2xfhA-2gd2A: 22.94
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.	2Y6R_A_CTCA1385_0 (TETX2 PROTEIN)	5hwq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Myxococcus xanthus)	5 / 10	MET A 256 PHE A 253 ASN A 304 GLY A 40 PRO A 157	CAA A 501 ( 3.7A) CAA A 501 (-3.6A) None GOL A 502 (-3.0A) CAA A 501 ( 4.6A)	1.40A	2y6rA-5hwqA: undetectable	2y6rA-5hwqA: 23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2YGN_A_ACTA1181_0 (WNT INHIBITORY FACTOR 1)	1jqi	SHORT CHAIN ACYL-COA DEHYDROGENASE (Rattus norvegicus)	3 / 3	TYR A 367 VAL A 90 THR A 364	CAA A 400 (-3.8A) None None	0.70A	2ygnA-1jqiA: undetectable	2ygnA-1jqiA: 17.74
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.	2ZT7_A_GLYA1300_0 (GLYCYL-TRNA SYNTHETASE)	2gd2	PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR (Mycobacterium tuberculosis)	4 / 7	GLU A 90 ARG A 91 ARG A 110 GLU A 82	None CAA A1751 (-2.2A) None None	0.99A	2zt7A-2gd2A: undetectable	2zt7A-2gd2A: 19.83
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.	3AXZ_A_ADNA401_1 (TRNA (GUANINE-N(1)-)-METH YLTRANSFERASE)	1dub	2-ENOYL-COA HYDRATASE (Rattus norvegicus)	5 / 12	GLY A 175 ILE A 66 LEU A 145 GLY A 142 GLY A 141	None None None None CAA A 300 (-3.6A)	1.01A	3axzA-1dubA: 0.3	3axzA-1dubA: 22.76
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.	3BOG_C_DVAC59_0 (6.5 KDA GLYCINE-RICH ANTIFREEZE PROTEIN)	2uzf	NAPHTHOATE SYNTHASE (Staphylococcus aureus)	3 / 3	GLY A 122 GLY A 141 GLY A 120	None None CAA A1274 ( 4.3A)	0.41A	3bogC-2uzfA: undetectable	3bogC-2uzfA: 14.65
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.	3FZG_A_SAMA300_0 (16S RRNA METHYLASE)	1ee0	2-PYRONE SYNTHASE (Gerbera hybrid cultivar)	5 / 12	GLY A 168 ILE A 201 LEU A 164 VAL A 140 GLN A 100	CAA A 600 (-3.3A) None None None None	1.30A	3fzgA-1ee0A: undetectable	3fzgA-1ee0A: 19.01
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.	3I5U_B_SAMB401_0 (O-METHYLTRANSFERASE)	5lnq	3-KETOACYL-COA THIOLASE-LIKE PROTEIN (Leishmania mexicana)	5 / 12	HIS A 388 LEU A 383 GLY A 394 SER A 132 ALA A 123	CAA A 501 (-4.1A) None None None CAA A 501 (-3.1A)	1.16A	3i5uB-5lnqA: undetectable	3i5uB-5lnqA: 22.51
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.	3KO0_M_TFPM201_1 (PROTEIN S100-A4)	1buc	BUTYRYL-COA DEHYDROGENASE (Megasphaera elsdenii)	4 / 7	GLY A 193 CYH A 97 PHE A 126 GLY A 165	None None CAA A 384 ( 4.7A) None	0.97A	3ko0M-1bucA: 1.5 3ko0P-1bucA: 1.5	3ko0M-1bucA: 14.96 3ko0P-1bucA: 14.96
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.	3KO0_P_TFPP201_1 (PROTEIN S100-A4)	1buc	BUTYRYL-COA DEHYDROGENASE (Megasphaera elsdenii)	4 / 7	GLY A 165 GLY A 193 CYH A 97 PHE A 126	None None None CAA A 384 ( 4.7A)	0.92A	3ko0M-1bucA: 1.5 3ko0P-1bucA: 1.5	3ko0M-1bucA: 14.96 3ko0P-1bucA: 14.96
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.	3KP5_A_KANA2001_1 (TRANSCRIPTIONAL REGULATOR TCAR)	5lnq	3-KETOACYL-COA THIOLASE-LIKE PROTEIN (Leishmania mexicana)	5 / 11	ALA A 122 SER A 125 ASN A 80 GLN A 153 ARG A 118	CAA A 501 (-3.2A) None None None None	1.45A	3kp5A-5lnqA: undetectable	3kp5A-5lnqA: 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.	3N8Y_A_DIFA701_1 (PROSTAGLANDIN G/H SYNTHASE 1)	1buc	BUTYRYL-COA DEHYDROGENASE (Megasphaera elsdenii)	5 / 11	TYR A 366 ILE A 88 ALA A 92 SER A 95 LEU A 96	CAA A 384 (-4.1A) None CAA A 384 ( 4.2A) None CAA A 384 (-4.7A)	1.16A	3n8yA-1bucA: 0.1	3n8yA-1bucA: 21.20
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.	3OWX_A_XRAA233_1 (RIBOSYLDIHYDRONICOTI NAMIDE DEHYDROGENASE [QUINONE])	1q51	MENB (Mycobacterium tuberculosis)	5 / 9	TRP A 157 GLY A 104 GLY A 105 VAL A 188 ILE A 136	CAA A 501 (-3.6A) CAA A 501 (-3.5A) CAA A 501 (-3.9A) CAA A 501 (-4.8A) None	1.32A	3owxA-1q51A: undetectable	3owxA-1q51A: 24.15
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.	3P50_A_PFLA319_1 (GLR4197 PROTEIN)	1jqi	SHORT CHAIN ACYL-COA DEHYDROGENASE (Rattus norvegicus)	4 / 7	LEU A 78 TYR A 367 THR A 364 ILE A 251	None CAA A 400 (-3.8A) None None	0.91A	3p50A-1jqiA: 2.4	3p50A-1jqiA: 20.91
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.	3P50_B_PFLB319_1 (GLR4197 PROTEIN)	1jqi	SHORT CHAIN ACYL-COA DEHYDROGENASE (Rattus norvegicus)	4 / 7	LEU A 78 TYR A 367 THR A 364 ILE A 251	None CAA A 400 (-3.8A) None None	0.91A	3p50B-1jqiA: 2.4	3p50B-1jqiA: 20.91
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.	3P50_C_PFLC319_1 (GLR4197 PROTEIN)	1jqi	SHORT CHAIN ACYL-COA DEHYDROGENASE (Rattus norvegicus)	4 / 7	LEU A 78 TYR A 367 THR A 364 ILE A 251	None CAA A 400 (-3.8A) None None	0.91A	3p50C-1jqiA: 3.2	3p50C-1jqiA: 20.91
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.	3P50_D_PFLD320_1 (GLR4197 PROTEIN)	1jqi	SHORT CHAIN ACYL-COA DEHYDROGENASE (Rattus norvegicus)	4 / 7	LEU A 78 TYR A 367 THR A 364 ILE A 251	None CAA A 400 (-3.8A) None None	0.91A	3p50D-1jqiA: 2.4	3p50D-1jqiA: 20.91
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.	3P50_E_PFLE319_1 (GLR4197 PROTEIN)	1jqi	SHORT CHAIN ACYL-COA DEHYDROGENASE (Rattus norvegicus)	4 / 7	LEU A 78 TYR A 367 THR A 364 ILE A 251	None CAA A 400 (-3.8A) None None	0.91A	3p50E-1jqiA: 2.4	3p50E-1jqiA: 20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3R9S_A_BEZA264_0 (CARNITINYL-COA DEHYDRATASE)	1dub	2-ENOYL-COA HYDRATASE (Rattus norvegicus)	4 / 6	ALA A 98 GLU A 144 GLU A 164 ALA A 173	CAA A 300 (-3.6A) CAA A 300 ( 3.0A) CAA A 300 ( 3.5A) CAA A 300 ( 4.7A)	0.35A	3r9sA-1dubA: 26.5	3r9sA-1dubA: 36.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3R9S_C_BEZC264_0 (CARNITINYL-COA DEHYDRATASE)	1dub	2-ENOYL-COA HYDRATASE (Rattus norvegicus)	4 / 6	ALA A 98 GLU A 144 GLU A 164 ALA A 173	CAA A 300 (-3.6A) CAA A 300 ( 3.0A) CAA A 300 ( 3.5A) CAA A 300 ( 4.7A)	0.31A	3r9sC-1dubA: 25.9	3r9sC-1dubA: 36.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3R9T_A_BEZA264_0 (ECHA1_1)	1dub	2-ENOYL-COA HYDRATASE (Rattus norvegicus)	4 / 8	ALA A 98 GLU A 144 GLU A 164 ALA A 173	CAA A 300 (-3.6A) CAA A 300 ( 3.0A) CAA A 300 ( 3.5A) CAA A 300 ( 4.7A)	0.32A	3r9tA-1dubA: 26.7	3r9tA-1dubA: 36.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3R9T_C_BEZC264_0 (ECHA1_1)	1dub	2-ENOYL-COA HYDRATASE (Rattus norvegicus)	4 / 5	ALA A 98 GLU A 144 GLU A 164 ALA A 173	CAA A 300 (-3.6A) CAA A 300 ( 3.0A) CAA A 300 ( 3.5A) CAA A 300 ( 4.7A)	0.38A	3r9tC-1dubA: 26.6	3r9tC-1dubA: 36.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3UNA_A_SALA1340_1 (XANTHINE DEHYDROGENASE/OXIDAS E)	1q51	MENB (Mycobacterium tuberculosis)	5 / 9	LEU A 165 PHE A 52 THR A 65 VAL A 66 ALA A 60	None None None None CAA A 501 ( 3.7A)	1.34A	3unaA-1q51A: undetectable	3unaA-1q51A: 13.11
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.	3UNA_B_SALB1340_1 (XANTHINE DEHYDROGENASE/OXIDAS E)	1q51	MENB (Mycobacterium tuberculosis)	5 / 9	LEU A 165 PHE A 52 THR A 65 VAL A 66 ALA A 60	None None None None CAA A 501 ( 3.7A)	1.35A	3unaB-1q51A: 0.0	3unaB-1q51A: 13.11
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.	3UQ6_A_ADNA401_1 (ADENOSINE KINASE, PUTATIVE)	1q51	MENB (Mycobacterium tuberculosis)	5 / 12	ILE A 143 LEU A 73 GLY A 161 GLY A 162 GLY A 196	None None CAA A 501 (-3.3A) None None	1.07A	3uq6A-1q51A: undetectable	3uq6A-1q51A: 22.61
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.	3VAQ_A_ADNA401_1 (PUTATIVE ADENOSINE KINASE)	1q51	MENB (Mycobacterium tuberculosis)	5 / 12	ILE A 143 LEU A 73 GLY A 161 GLY A 162 GLY A 196	None None CAA A 501 (-3.3A) None None	1.05A	3vaqA-1q51A: 3.7	3vaqA-1q51A: 22.86
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.	3VAS_A_ADNA401_1 (PUTATIVE ADENOSINE KINASE)	1q51	MENB (Mycobacterium tuberculosis)	5 / 12	ILE A 143 LEU A 73 GLY A 161 GLY A 162 GLY A 196	None None CAA A 501 (-3.3A) None None	1.06A	3vasA-1q51A: 3.7	3vasA-1q51A: 22.73
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.	3WRI_A_CAMA502_0 (CAMPHOR 5-MONOOXYGENASE)	1dub	2-ENOYL-COA HYDRATASE (Rattus norvegicus)	4 / 5	GLY A 172 THR A 176 ILE A 165 VAL A 192	CAA A 300 (-3.2A) None None None	0.86A	3wriA-1dubA: 0.0	3wriA-1dubA: 17.97
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.	3WRI_B_CAMB502_0 (CAMPHOR 5-MONOOXYGENASE)	1dub	2-ENOYL-COA HYDRATASE (Rattus norvegicus)	4 / 5	GLY A 172 THR A 176 ILE A 165 VAL A 192	CAA A 300 (-3.2A) None None None	0.84A	3wriB-1dubA: 0.0	3wriB-1dubA: 17.97
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.	4CTK_C_SAMC1263_0 (POLYPROTEIN)	5lnq	3-KETOACYL-COA THIOLASE-LIKE PROTEIN (Leishmania mexicana)	6 / 12	GLY A 391 GLY A 427 GLY A 121 GLY A 126 THR A 432 LYS A 431	None CAA A 501 (-3.1A) None None None None	1.41A	4ctkC-5lnqA: undetectable	4ctkC-5lnqA: 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.	4LS7_A_1X9A504_1 (3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2)	5lnq	3-KETOACYL-COA THIOLASE-LIKE PROTEIN (Leishmania mexicana)	5 / 12	ALA A 122 GLU A 151 HIS A 338 HIS A 388 GLY A 427	CAA A 501 (-3.2A) None CAA A 501 (-4.1A) CAA A 501 (-4.1A) CAA A 501 (-3.1A)	0.59A	4ls7A-5lnqA: 27.0	4ls7A-5lnqA: 23.53
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.	4O33_A_TZNA501_1 (PHOSPHOGLYCERATE KINASE 1)	1q51	MENB (Mycobacterium tuberculosis)	5 / 12	ALA A 159 GLY A 161 GLY A 162 THR A 88 GLY A 105	CAA A 501 ( 3.8A) CAA A 501 (-3.3A) None None CAA A 501 (-3.9A)	0.93A	4o33A-1q51A: 2.1	4o33A-1q51A: 21.48
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.	4O3F_A_TZNA501_1 (PHOSPHOGLYCERATE KINASE 1)	1q51	MENB (Mycobacterium tuberculosis)	5 / 12	ALA A 159 GLY A 161 GLY A 162 THR A 88 GLY A 105	CAA A 501 ( 3.8A) CAA A 501 (-3.3A) None None CAA A 501 (-3.9A)	0.82A	4o3fA-1q51A: 2.0	4o3fA-1q51A: 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.	4QZT_A_RTLA201_1 (RETINOL-BINDING PROTEIN 2)	1ee0	2-PYRONE SYNTHASE (Gerbera hybrid cultivar)	3 / 3	PHE A 220 THR A 383 LEU A 261	CAA A 600 (-4.6A) None CAA A 600 (-4.5A)	0.62A	4qztA-1ee0A: 0.2	4qztA-1ee0A: 15.43
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.	4X20_D_LOCD502_2 (TUBULIN BETA CHAIN)	2ix5	ACYL-COENZYME A OXIDASE 4, PEROXISOMAL (Arabidopsis thaliana)	5 / 11	LEU A 284 LEU A 174 THR A 188 VAL A 274 ILE A 227	CAA A1432 (-4.2A) FAD A1433 (-4.4A) None None None	1.06A	4x20D-2ix5A: undetectable	4x20D-2ix5A: 23.91
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.	4XUE_A_SAMA303_1 (CATECHOL O-METHYLTRANSFERASE)	1jqi	SHORT CHAIN ACYL-COA DEHYDROGENASE (Rattus norvegicus)	4 / 5	GLY A 247 SER A 321 GLU A 368 ASP A 245	None None CAA A 400 (-4.1A) CAA A 400 (-2.9A)	1.19A	4xueA-1jqiA: undetectable	4xueA-1jqiA: 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.	4YVG_A_SAMA301_0 (TRNA (GUANINE-N(1)-)-METH YLTRANSFERASE)	1dub	2-ENOYL-COA HYDRATASE (Rattus norvegicus)	5 / 12	GLY A 175 ILE A 66 LEU A 145 GLY A 142 GLY A 141	None None None None CAA A 300 (-3.6A)	1.06A	4yvgA-1dubA: undetectable	4yvgA-1dubA: 22.76
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.	4ZAU_A_YY3A1101_1 (EPIDERMAL GROWTH FACTOR RECEPTOR)	1dub	2-ENOYL-COA HYDRATASE (Rattus norvegicus)	5 / 8	GLY A 136 VAL A 134 ALA A 146 LEU A 145 GLY A 97	None None None None CAA A 300 ( 3.9A)	1.21A	4zauA-1dubA: undetectable	4zauA-1dubA: 22.51
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.	5AJQ_B_DB8B800_1 (SERINE/THREONINE-PRO TEIN KINASE 10)	2gd2	PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR (Mycobacterium tuberculosis)	5 / 10	ALA A 70 ILE A 36 GLY A 93 LEU A 92 ASP A 60	None None None CAA A1751 (-4.2A) CAA A1751 ( 4.7A)	1.43A	5ajqB-2gd2A: undetectable	5ajqB-2gd2A: 22.98
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.	5E4D_B_BEZB203_0 (HYDROXYNITRILE LYASE)	5hwq	HYDROXYMETHYLGLUTARY L-COA SYNTHASE (Myxococcus xanthus)	4 / 4	VAL A 30 ALA A 33 ILE A 21 THR A 36	None CAA A 501 (-3.5A) None None	1.05A	5e4dB-5hwqA: undetectable	5e4dB-5hwqA: 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.	5E9Q_C_SAMC4000_0 (GENOME POLYPROTEIN)	5lnq	3-KETOACYL-COA THIOLASE-LIKE PROTEIN (Leishmania mexicana)	6 / 12	GLY A 391 GLY A 427 GLY A 121 GLY A 126 THR A 432 LYS A 431	None CAA A 501 (-3.1A) None None None None	1.37A	5e9qC-5lnqA: undetectable	5e9qC-5lnqA: 19.96
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.	5EIW_C_SAMC4000_0 (NS5 METHYLTRANSFERASE)	5lnq	3-KETOACYL-COA THIOLASE-LIKE PROTEIN (Leishmania mexicana)	6 / 12	GLY A 391 GLY A 427 GLY A 121 GLY A 126 THR A 432 LYS A 431	None CAA A 501 (-3.1A) None None None None	1.45A	5eiwC-5lnqA: undetectable	5eiwC-5lnqA: 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.	5ERS_A_ACTA803_0 (GEPHYRIN)	1buc	BUTYRYL-COA DEHYDROGENASE (Megasphaera elsdenii)	3 / 3	THR A 162 ALA A 92 ASN A 163	CAA A 384 ( 3.8A) CAA A 384 ( 4.2A) None	0.40A	5ersA-1bucA: undetectable	5ersA-1bucA: 23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5IK1_A_CAMA503_0 (CAMPHOR 5-MONOOXYGENASE)	1dub	2-ENOYL-COA HYDRATASE (Rattus norvegicus)	4 / 7	GLY A 172 THR A 176 ILE A 165 VAL A 192	CAA A 300 (-3.2A) None None None	0.82A	5ik1A-1dubA: 0.0	5ik1A-1dubA: 18.63
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.	5IZF_E_AZ1E2_1 (CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA 6J9-ZEU-DAR-ACA-DAR- NH2)	1q51	MENB (Mycobacterium tuberculosis)	4 / 7	GLY A 105 GLY A 161 SER A 164 LEU A 137	CAA A 501 (-3.9A) CAA A 501 (-3.3A) None None	0.81A	5izfA-1q51A: undetectable	5izfA-1q51A: 22.14
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.	5VEU_A_RITA602_2 (CYTOCHROME P450 3A5)	1ee0	2-PYRONE SYNTHASE (Gerbera hybrid cultivar)	3 / 3	ARG A 274 PHE A 378 LEU A 219	CAA A 600 (-3.1A) None CAA A 600 ( 4.8A)	0.81A	5veuA-1ee0A: 0.0	5veuA-1ee0A: 23.22
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.	5WZ1_B_SAMB601_0 (NS5 METHYLTRANSFERASE)	5lnq	3-KETOACYL-COA THIOLASE-LIKE PROTEIN (Leishmania mexicana)	6 / 12	GLY A 391 GLY A 427 GLY A 121 GLY A 126 THR A 432 LYS A 431	None CAA A 501 (-3.1A) None None None None	1.43A	5wz1B-5lnqA: undetectable	5wz1B-5lnqA: 20.46
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.	5WZ2_A_SAMA601_0 (NS5 MTASE)	5lnq	3-KETOACYL-COA THIOLASE-LIKE PROTEIN (Leishmania mexicana)	6 / 12	GLY A 391 GLY A 427 GLY A 121 GLY A 126 THR A 432 LYS A 431	None CAA A 501 (-3.1A) None None None None	1.45A	5wz2A-5lnqA: undetectable	5wz2A-5lnqA: 20.46
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.	5WZ2_B_SAMB601_0 (NS5 MTASE)	5lnq	3-KETOACYL-COA THIOLASE-LIKE PROTEIN (Leishmania mexicana)	6 / 12	GLY A 391 GLY A 427 GLY A 121 GLY A 126 THR A 432 LYS A 431	None CAA A 501 (-3.1A) None None None None	1.44A	5wz2B-5lnqA: undetectable	5wz2B-5lnqA: 20.46
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.	5ZHM_B_SAMB301_1 (TRNA (GUANINE-N(1)-)-METH YLTRANSFERASE)	1dub	2-ENOYL-COA HYDRATASE (Rattus norvegicus)	6 / 12	GLY A 140 GLY A 175 ILE A 66 LEU A 145 GLY A 142 GLY A 141	CAA A 300 (-3.1A) None None None None CAA A 300 (-3.6A)	1.40A	5zhmB-1dubA: undetectable	5zhmB-1dubA: 20.41
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.	6AG0_A_ACRA606_0 (ALPHA-AMYLASE)	2uzf	NAPHTHOATE SYNTHASE (Staphylococcus aureus)	5 / 7	GLY A 121 GLY A 120 GLY A 144 PRO A 145 GLY A 148	CAA A1274 (-3.8A) CAA A1274 ( 4.3A) None None None	0.93A	6ag0A-2uzfA: undetectable	6ag0A-2uzfA: 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.	6AG0_C_ACRC607_0 (ALPHA-AMYLASE)	1dub	2-ENOYL-COA HYDRATASE (Rattus norvegicus)	4 / 6	GLY A 172 ASP A 121 GLY A 140 GLY A 142	CAA A 300 (-3.2A) None CAA A 300 (-3.1A) None	0.74A	6ag0C-1dubA: undetectable	6ag0C-1dubA: 22.93

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1CRB_A_RTLA200_0","CELLULAR RETINOL BINDING PROTEIN","2gd2","PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR","Mycobacterium tuberculosis",5,"LEU A  94;LEU A  61;ALA A  70;LEU A  73;ILE A 168","None;CAA A1751 (-3.9A);None;None;None","1.16A","1crbA-2gd2A:undetectable",null],["1DZM_A_BZMA600_0","ODORANT-BINDING PROTEIN","1jqi","SHORT CHAIN ACYL-COA DEHYDROGENASE","Rattus norvegicus",4,"ILE A 251;ASN A 164;GLY A 247;LEU A 244","None;None;None;CAA A 400 (-4.1A)","0.99A","1dzmA-1jqiA:undetectable","1crbA-2gd2A:17.70"],["1EQG_A_IBPA701_1","PROSTAGLANDIN H2 SYNTHASE-1","1buc","BUTYRYL-COA DEHYDROGENASE","Megasphaera elsdenii",5,"TYR A 366;ILE A  88;ALA A  92;SER A  95;LEU A  96","CAA A 384 (-4.1A);None;CAA A 384 ( 4.2A);None;CAA A 384 (-4.7A)","1.07A","1eqgA-1bucA:0.3","1dzmA-1jqiA:18.82"],["1EQG_B_IBPB1701_1","PROSTAGLANDIN H2 SYNTHASE-1","1buc","BUTYRYL-COA DEHYDROGENASE","Megasphaera elsdenii",5,"TYR A 366;ILE A  88;ALA A  92;SER A  95;LEU A  96","CAA A 384 (-4.1A);None;CAA A 384 ( 4.2A);None;CAA A 384 (-4.7A)","1.10A","1eqgB-1bucA:0.2","1eqgA-1bucA:19.90"],["1FIQ_C_SALC1335_1","XANTHINE OXIDASE","1q51","MENB","Mycobacterium tuberculosis",5,"LEU A 165;PHE A  52;THR A  65;VAL A  66;ALA A  60","None;None;None;None;CAA A 501 ( 3.7A)","1.39A","1fiqC-1q51A:undetectable","1eqgB-1bucA:19.90"],["1FO4_A_SALA3005_1","XANTHINE DEHYDROGENASE","1q51","MENB","Mycobacterium tuberculosis",5,"LEU A 165;PHE A  52;THR A  65;VAL A  66;ALA A  60","None;None;None;None;CAA A 501 ( 3.7A)","1.37A","1fo4A-1q51A:0.0","1fiqC-1q51A:18.36"],["1N4F_A_ASRA141_0","LYSOZYME C","2uzf","NAPHTHOATE SYNTHASE","Staphylococcus aureus",4,"ASP A  76;GLY A  75;THR A  38;PRO A  39","None;CAA A1274 (-3.1A);None;None","0.96A","1n4fA-2uzfA:undetectable","1fo4A-1q51A:13.11"],["1Q23_I_FUAI707_1","CHLORAMPHENICOL ACETYLTRANSFERASE;CHLORAMPHENICOL ACETYLTRANSFERASE","1ee0","2-PYRONE SYNTHASE","Gerbera hybrid cultivar",3,"VAL A 215;ALA A 216;HIS A 204","CAA A 600 (-4.9A);None;None","0.68A","1q23G-1ee0A:0.1","1n4fA-2uzfA:19.09"],["1Q23_L_FUAL710_1","CHLORAMPHENICOL ACETYLTRANSFERASE;CHLORAMPHENICOL ACETYLTRANSFERASE","1ee0","2-PYRONE SYNTHASE","Gerbera hybrid cultivar",3,"VAL A 215;ALA A 216;HIS A 204","CAA A 600 (-4.9A);None;None","0.72A","1q23J-1ee0A:0.0","1q23G-1ee0A:18.34"],["1SKX_A_RFPA1_2","ORPHAN NUCLEAR RECEPTOR PXR","5hwq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Myxococcus xanthus",4,"LYS A 259;PHE A 348;LEU A 213;LEU A 322","CAA A 501 (-2.7A);None;None;None","1.21A","1skxA-5hwqA:undetectable","1q23J-1ee0A:18.34"],["2HMA_A_SAMA375_0","PROBABLE TRNA (5-METHYLAMINOMETHYL-2-THIOURIDYLATE)-METHYLTRANSFERASE","5lnq","3-KETOACYL-COA THIOLASE-LIKE PROTEIN","Leishmania mexicana",5,"GLY A 394;SER A 125;THR A 393;HIS A 388;PHE A 341","None;None;None;CAA A 501 (-4.1A);CAA A 501 ( 4.6A)","1.44A","2hmaA-5lnqA:undetectable","1skxA-5hwqA:21.94"],["2NXE_A_SAMA302_1","RIBOSOMAL PROTEIN L11 METHYLTRANSFERASE","2ix5","ACYL-COENZYME A OXIDASE 4, PEROXISOMAL","Arabidopsis thaliana",3,"THR A 224;ASP A 279;SER A 281","None;None;CAA A1432 ( 4.7A)","0.57A","2nxeA-2ix5A:undetectable","2hmaA-5lnqA:21.89"],["2NXE_B_SAMB303_1","RIBOSOMAL PROTEIN L11 METHYLTRANSFERASE","2ix5","ACYL-COENZYME A OXIDASE 4, PEROXISOMAL","Arabidopsis thaliana",3,"THR A 224;ASP A 279;SER A 281","None;None;CAA A1432 ( 4.7A)","0.62A","2nxeB-2ix5A:undetectable","2nxeA-2ix5A:21.55"],["2NYR_B_SVRB401_3","NAD-DEPENDENT DEACETYLASE SIRTUIN-5","1ee0","2-PYRONE SYNTHASE","Gerbera hybrid cultivar",5,"ILE A 314;HIS A 308;PHE A 220;GLY A 221;LEU A 348","None;None;CAA A 600 (-4.6A);None;None","0.95A","2nyrB-1ee0A:undetectable","2nxeB-2ix5A:21.55"],["2O4N_A_TPVA300_2","PROTEASE;PROTEASE","1dub","2-ENOYL-COA HYDRATASE","Rattus norvegicus",5,"ARG A 197;LEU A 139;ILE A 100;GLY A 168;ILE A 165","CAA A 300 ( 4.8A);None;CAA A 300 (-4.2A);None;None","1.21A","2o4nB-1dubA:undetectable","2nyrB-1ee0A:22.14"],["2OAX_D_SNLD4001_2","MINERALOCORTICOID RECEPTOR","5lnq","3-KETOACYL-COA THIOLASE-LIKE PROTEIN","Leishmania mexicana",4,"LEU A 165;LEU A 185;MET A 426;CYH A 258","CAA A 501 (-3.4A);None;CAA A 501 (-4.8A);CAA A 501 (-3.8A)","1.10A","2oaxD-5lnqA:undetectable","2o4nB-1dubA:16.86"],["2Q63_A_1UNA1001_1","PROTEASE RETROPEPSIN","2gd2","PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR","Mycobacterium tuberculosis",6,"LEU A  73;GLY A  66;ALA A  59;ASP A  60;VAL A  11;ILE A  36","None;None;None;CAA A1751 ( 4.7A);None;None","1.39A","2q63A-2gd2A:undetectable","2oaxD-5lnqA:20.97"],["2XFH_A_CL6A1414_1","ERYTHROMYCIN B\/D C-12 HYDROXYLASE","2gd2","PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR","Mycobacterium tuberculosis",5,"LEU A  61;ILE A  36;LEU A  13;THR A  89;LEU A  92","CAA A1751 (-3.9A);None;None;None;CAA A1751 (-4.2A)","1.22A","2xfhA-2gd2A:undetectable","2q63A-2gd2A:14.97"],["2XFH_A_CL6A1414_1","ERYTHROMYCIN B\/D C-12 HYDROXYLASE","2gd2","PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR","Mycobacterium tuberculosis",5,"LEU A  61;ILE A  36;LEU A  13;THR A  89;LEU A  94","CAA A1751 (-3.9A);None;None;None;None","1.44A","2xfhA-2gd2A:undetectable","2xfhA-2gd2A:22.94"],["2Y6R_A_CTCA1385_0","TETX2 PROTEIN","5hwq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Myxococcus xanthus",5,"MET A 256;PHE A 253;ASN A 304;GLY A  40;PRO A 157","CAA A 501 ( 3.7A);CAA A 501 (-3.6A);None;GOL A 502 (-3.0A);CAA A 501 ( 4.6A)","1.40A","2y6rA-5hwqA:undetectable","2xfhA-2gd2A:22.94"],["2YGN_A_ACTA1181_0","WNT INHIBITORY FACTOR 1","1jqi","SHORT CHAIN ACYL-COA DEHYDROGENASE","Rattus norvegicus",3,"TYR A 367;VAL A  90;THR A 364","CAA A 400 (-3.8A);None;None","0.70A","2ygnA-1jqiA:undetectable","2y6rA-5hwqA:23.16"],["2ZT7_A_GLYA1300_0","GLYCYL-TRNA SYNTHETASE","2gd2","PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR","Mycobacterium tuberculosis",4,"GLU A  90;ARG A  91;ARG A 110;GLU A  82","None;CAA A1751 (-2.2A);None;None","0.99A","2zt7A-2gd2A:undetectable","2ygnA-1jqiA:17.74"],["3AXZ_A_ADNA401_1","TRNA (GUANINE-N(1)-)-METHYLTRANSFERASE","1dub","2-ENOYL-COA HYDRATASE","Rattus norvegicus",5,"GLY A 175;ILE A  66;LEU A 145;GLY A 142;GLY A 141","None;None;None;None;CAA A 300 (-3.6A)","1.01A","3axzA-1dubA:0.3","2zt7A-2gd2A:19.83"],["3BOG_C_DVAC59_0","6.5 KDA GLYCINE-RICH ANTIFREEZE PROTEIN","2uzf","NAPHTHOATE SYNTHASE","Staphylococcus aureus",3,"GLY A 122;GLY A 141;GLY A 120","None;None;CAA A1274 ( 4.3A)","0.41A","3bogC-2uzfA:undetectable","3axzA-1dubA:22.76"],["3FZG_A_SAMA300_0","16S RRNA METHYLASE","1ee0","2-PYRONE SYNTHASE","Gerbera hybrid cultivar",5,"GLY A 168;ILE A 201;LEU A 164;VAL A 140;GLN A 100","CAA A 600 (-3.3A);None;None;None;None","1.30A","3fzgA-1ee0A:undetectable","3bogC-2uzfA:14.65"],["3I5U_B_SAMB401_0","O-METHYLTRANSFERASE","5lnq","3-KETOACYL-COA THIOLASE-LIKE PROTEIN","Leishmania mexicana",5,"HIS A 388;LEU A 383;GLY A 394;SER A 132;ALA A 123","CAA A 501 (-4.1A);None;None;None;CAA A 501 (-3.1A)","1.16A","3i5uB-5lnqA:undetectable","3fzgA-1ee0A:19.01"],["3KO0_M_TFPM201_1","PROTEIN S100-A4;PROTEIN S100-A4","1buc","BUTYRYL-COA DEHYDROGENASE","Megasphaera elsdenii",4,"GLY A 193;CYH A  97;PHE A 126;GLY A 165","None;None;CAA A 384 ( 4.7A);None","0.97A","3ko0M-1bucA:1.5;3ko0P-1bucA:1.5","3i5uB-5lnqA:22.51"],["3KO0_P_TFPP201_1","PROTEIN S100-A4;PROTEIN S100-A4","1buc","BUTYRYL-COA DEHYDROGENASE","Megasphaera elsdenii",4,"GLY A 165;GLY A 193;CYH A  97;PHE A 126","None;None;None;CAA A 384 ( 4.7A)","0.92A","3ko0M-1bucA:1.5;3ko0P-1bucA:1.5","3ko0M-1bucA:14.96;3ko0P-1bucA:14.96"],["3KP5_A_KANA2001_1","TRANSCRIPTIONAL REGULATOR TCAR","5lnq","3-KETOACYL-COA THIOLASE-LIKE PROTEIN","Leishmania mexicana",5,"ALA A 122;SER A 125;ASN A  80;GLN A 153;ARG A 118","CAA A 501 (-3.2A);None;None;None;None","1.45A","3kp5A-5lnqA:undetectable","3ko0M-1bucA:14.96;3ko0P-1bucA:14.96"],["3N8Y_A_DIFA701_1","PROSTAGLANDIN G\/H SYNTHASE 1","1buc","BUTYRYL-COA DEHYDROGENASE","Megasphaera elsdenii",5,"TYR A 366;ILE A  88;ALA A  92;SER A  95;LEU A  96","CAA A 384 (-4.1A);None;CAA A 384 ( 4.2A);None;CAA A 384 (-4.7A)","1.16A","3n8yA-1bucA:0.1","3kp5A-5lnqA:18.10"],["3OWX_A_XRAA233_1","RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE]","1q51","MENB","Mycobacterium tuberculosis",5,"TRP A 157;GLY A 104;GLY A 105;VAL A 188;ILE A 136","CAA A 501 (-3.6A);CAA A 501 (-3.5A);CAA A 501 (-3.9A);CAA A 501 (-4.8A);None","1.32A","3owxA-1q51A:undetectable","3n8yA-1bucA:21.20"],["3P50_A_PFLA319_1","GLR4197 PROTEIN","1jqi","SHORT CHAIN ACYL-COA DEHYDROGENASE","Rattus norvegicus",4,"LEU A  78;TYR A 367;THR A 364;ILE A 251","None;CAA A 400 (-3.8A);None;None","0.91A","3p50A-1jqiA:2.4","3owxA-1q51A:24.15"],["3P50_B_PFLB319_1","GLR4197 PROTEIN","1jqi","SHORT CHAIN ACYL-COA DEHYDROGENASE","Rattus norvegicus",4,"LEU A  78;TYR A 367;THR A 364;ILE A 251","None;CAA A 400 (-3.8A);None;None","0.91A","3p50B-1jqiA:2.4","3p50A-1jqiA:20.91"],["3P50_C_PFLC319_1","GLR4197 PROTEIN","1jqi","SHORT CHAIN ACYL-COA DEHYDROGENASE","Rattus norvegicus",4,"LEU A  78;TYR A 367;THR A 364;ILE A 251","None;CAA A 400 (-3.8A);None;None","0.91A","3p50C-1jqiA:3.2","3p50B-1jqiA:20.91"],["3P50_D_PFLD320_1","GLR4197 PROTEIN","1jqi","SHORT CHAIN ACYL-COA DEHYDROGENASE","Rattus norvegicus",4,"LEU A  78;TYR A 367;THR A 364;ILE A 251","None;CAA A 400 (-3.8A);None;None","0.91A","3p50D-1jqiA:2.4","3p50C-1jqiA:20.91"],["3P50_E_PFLE319_1","GLR4197 PROTEIN","1jqi","SHORT CHAIN ACYL-COA DEHYDROGENASE","Rattus norvegicus",4,"LEU A  78;TYR A 367;THR A 364;ILE A 251","None;CAA A 400 (-3.8A);None;None","0.91A","3p50E-1jqiA:2.4","3p50D-1jqiA:20.91"],["3R9S_A_BEZA264_0","CARNITINYL-COA DEHYDRATASE","1dub","2-ENOYL-COA HYDRATASE","Rattus norvegicus",4,"ALA A  98;GLU A 144;GLU A 164;ALA A 173","CAA A 300 (-3.6A);CAA A 300 ( 3.0A);CAA A 300 ( 3.5A);CAA A 300 ( 4.7A)","0.35A","3r9sA-1dubA:26.5","3p50E-1jqiA:20.91"],["3R9S_C_BEZC264_0","CARNITINYL-COA DEHYDRATASE","1dub","2-ENOYL-COA HYDRATASE","Rattus norvegicus",4,"ALA A  98;GLU A 144;GLU A 164;ALA A 173","CAA A 300 (-3.6A);CAA A 300 ( 3.0A);CAA A 300 ( 3.5A);CAA A 300 ( 4.7A)","0.31A","3r9sC-1dubA:25.9","3r9sA-1dubA:36.49"],["3R9T_A_BEZA264_0","ECHA1_1","1dub","2-ENOYL-COA HYDRATASE","Rattus norvegicus",4,"ALA A  98;GLU A 144;GLU A 164;ALA A 173","CAA A 300 (-3.6A);CAA A 300 ( 3.0A);CAA A 300 ( 3.5A);CAA A 300 ( 4.7A)","0.32A","3r9tA-1dubA:26.7","3r9sC-1dubA:36.49"],["3R9T_C_BEZC264_0","ECHA1_1","1dub","2-ENOYL-COA HYDRATASE","Rattus norvegicus",4,"ALA A  98;GLU A 144;GLU A 164;ALA A 173","CAA A 300 (-3.6A);CAA A 300 ( 3.0A);CAA A 300 ( 3.5A);CAA A 300 ( 4.7A)","0.38A","3r9tC-1dubA:26.6","3r9tA-1dubA:36.49"],["3UNA_A_SALA1340_1","XANTHINE DEHYDROGENASE\/OXIDASE","1q51","MENB","Mycobacterium tuberculosis",5,"LEU A 165;PHE A  52;THR A  65;VAL A  66;ALA A  60","None;None;None;None;CAA A 501 ( 3.7A)","1.34A","3unaA-1q51A:undetectable","3r9tC-1dubA:36.49"],["3UNA_B_SALB1340_1","XANTHINE DEHYDROGENASE\/OXIDASE","1q51","MENB","Mycobacterium tuberculosis",5,"LEU A 165;PHE A  52;THR A  65;VAL A  66;ALA A  60","None;None;None;None;CAA A 501 ( 3.7A)","1.35A","3unaB-1q51A:0.0","3unaA-1q51A:13.11"],["3UQ6_A_ADNA401_1","ADENOSINE KINASE, PUTATIVE","1q51","MENB","Mycobacterium tuberculosis",5,"ILE A 143;LEU A  73;GLY A 161;GLY A 162;GLY A 196","None;None;CAA A 501 (-3.3A);None;None","1.07A","3uq6A-1q51A:undetectable","3unaB-1q51A:13.11"],["3VAQ_A_ADNA401_1","PUTATIVE ADENOSINE KINASE","1q51","MENB","Mycobacterium tuberculosis",5,"ILE A 143;LEU A  73;GLY A 161;GLY A 162;GLY A 196","None;None;CAA A 501 (-3.3A);None;None","1.05A","3vaqA-1q51A:3.7","3uq6A-1q51A:22.61"],["3VAS_A_ADNA401_1","PUTATIVE ADENOSINE KINASE","1q51","MENB","Mycobacterium tuberculosis",5,"ILE A 143;LEU A  73;GLY A 161;GLY A 162;GLY A 196","None;None;CAA A 501 (-3.3A);None;None","1.06A","3vasA-1q51A:3.7","3vaqA-1q51A:22.86"],["3WRI_A_CAMA502_0","CAMPHOR 5-MONOOXYGENASE","1dub","2-ENOYL-COA HYDRATASE","Rattus norvegicus",4,"GLY A 172;THR A 176;ILE A 165;VAL A 192","CAA A 300 (-3.2A);None;None;None","0.86A","3wriA-1dubA:0.0","3vasA-1q51A:22.73"],["3WRI_B_CAMB502_0","CAMPHOR 5-MONOOXYGENASE","1dub","2-ENOYL-COA HYDRATASE","Rattus norvegicus",4,"GLY A 172;THR A 176;ILE A 165;VAL A 192","CAA A 300 (-3.2A);None;None;None","0.84A","3wriB-1dubA:0.0","3wriA-1dubA:17.97"],["4CTK_C_SAMC1263_0","POLYPROTEIN","5lnq","3-KETOACYL-COA THIOLASE-LIKE PROTEIN","Leishmania mexicana",6,"GLY A 391;GLY A 427;GLY A 121;GLY A 126;THR A 432;LYS A 431","None;CAA A 501 (-3.1A);None;None;None;None","1.41A","4ctkC-5lnqA:undetectable","3wriB-1dubA:17.97"],["4LS7_A_1X9A504_1","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","5lnq","3-KETOACYL-COA THIOLASE-LIKE PROTEIN","Leishmania mexicana",5,"ALA A 122;GLU A 151;HIS A 338;HIS A 388;GLY A 427","CAA A 501 (-3.2A);None;CAA A 501 (-4.1A);CAA A 501 (-4.1A);CAA A 501 (-3.1A)","0.59A","4ls7A-5lnqA:27.0","4ctkC-5lnqA:20.13"],["4O33_A_TZNA501_1","PHOSPHOGLYCERATE KINASE 1","1q51","MENB","Mycobacterium tuberculosis",5,"ALA A 159;GLY A 161;GLY A 162;THR A  88;GLY A 105","CAA A 501 ( 3.8A);CAA A 501 (-3.3A);None;None;CAA A 501 (-3.9A)","0.93A","4o33A-1q51A:2.1","4ls7A-5lnqA:23.53"],["4O3F_A_TZNA501_1","PHOSPHOGLYCERATE KINASE 1","1q51","MENB","Mycobacterium tuberculosis",5,"ALA A 159;GLY A 161;GLY A 162;THR A  88;GLY A 105","CAA A 501 ( 3.8A);CAA A 501 (-3.3A);None;None;CAA A 501 (-3.9A)","0.82A","4o3fA-1q51A:2.0","4o33A-1q51A:21.48"],["4QZT_A_RTLA201_1","RETINOL-BINDING PROTEIN 2","1ee0","2-PYRONE SYNTHASE","Gerbera hybrid cultivar",3,"PHE A 220;THR A 383;LEU A 261","CAA A 600 (-4.6A);None;CAA A 600 (-4.5A)","0.62A","4qztA-1ee0A:0.2","4o3fA-1q51A:22.25"],["4X20_D_LOCD502_2","TUBULIN BETA CHAIN","2ix5","ACYL-COENZYME A OXIDASE 4, PEROXISOMAL","Arabidopsis thaliana",5,"LEU A 284;LEU A 174;THR A 188;VAL A 274;ILE A 227","CAA A1432 (-4.2A);FAD A1433 (-4.4A);None;None;None","1.06A","4x20D-2ix5A:undetectable","4qztA-1ee0A:15.43"],["4XUE_A_SAMA303_1","CATECHOL O-METHYLTRANSFERASE","1jqi","SHORT CHAIN ACYL-COA DEHYDROGENASE","Rattus norvegicus",4,"GLY A 247;SER A 321;GLU A 368;ASP A 245","None;None;CAA A 400 (-4.1A);CAA A 400 (-2.9A)","1.19A","4xueA-1jqiA:undetectable","4x20D-2ix5A:23.91"],["4YVG_A_SAMA301_0","TRNA (GUANINE-N(1)-)-METHYLTRANSFERASE","1dub","2-ENOYL-COA HYDRATASE","Rattus norvegicus",5,"GLY A 175;ILE A  66;LEU A 145;GLY A 142;GLY A 141","None;None;None;None;CAA A 300 (-3.6A)","1.06A","4yvgA-1dubA:undetectable","4xueA-1jqiA:20.00"],["4ZAU_A_YY3A1101_1","EPIDERMAL GROWTH FACTOR RECEPTOR","1dub","2-ENOYL-COA HYDRATASE","Rattus norvegicus",5,"GLY A 136;VAL A 134;ALA A 146;LEU A 145;GLY A  97","None;None;None;None;CAA A 300 ( 3.9A)","1.21A","4zauA-1dubA:undetectable","4yvgA-1dubA:22.76"],["5AJQ_B_DB8B800_1","SERINE\/THREONINE-PROTEIN KINASE 10","2gd2","PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR","Mycobacterium tuberculosis",5,"ALA A  70;ILE A  36;GLY A  93;LEU A  92;ASP A  60","None;None;None;CAA A1751 (-4.2A);CAA A1751 ( 4.7A)","1.43A","5ajqB-2gd2A:undetectable","4zauA-1dubA:22.51"],["5E4D_B_BEZB203_0","HYDROXYNITRILE LYASE","5hwq","HYDROXYMETHYLGLUTARYL-COA SYNTHASE","Myxococcus xanthus",4,"VAL A  30;ALA A  33;ILE A  21;THR A  36","None;CAA A 501 (-3.5A);None;None","1.05A","5e4dB-5hwqA:undetectable","5ajqB-2gd2A:22.98"],["5E9Q_C_SAMC4000_0","GENOME POLYPROTEIN","5lnq","3-KETOACYL-COA THIOLASE-LIKE PROTEIN","Leishmania mexicana",6,"GLY A 391;GLY A 427;GLY A 121;GLY A 126;THR A 432;LYS A 431","None;CAA A 501 (-3.1A);None;None;None;None","1.37A","5e9qC-5lnqA:undetectable","5e4dB-5hwqA:20.00"],["5EIW_C_SAMC4000_0","NS5 METHYLTRANSFERASE","5lnq","3-KETOACYL-COA THIOLASE-LIKE PROTEIN","Leishmania mexicana",6,"GLY A 391;GLY A 427;GLY A 121;GLY A 126;THR A 432;LYS A 431","None;CAA A 501 (-3.1A);None;None;None;None","1.45A","5eiwC-5lnqA:undetectable","5e9qC-5lnqA:19.96"],["5ERS_A_ACTA803_0","GEPHYRIN","1buc","BUTYRYL-COA DEHYDROGENASE","Megasphaera elsdenii",3,"THR A 162;ALA A  92;ASN A 163","CAA A 384 ( 3.8A);CAA A 384 ( 4.2A);None","0.40A","5ersA-1bucA:undetectable","5eiwC-5lnqA:20.13"],["5IK1_A_CAMA503_0","CAMPHOR 5-MONOOXYGENASE","1dub","2-ENOYL-COA HYDRATASE","Rattus norvegicus",4,"GLY A 172;THR A 176;ILE A 165;VAL A 192","CAA A 300 (-3.2A);None;None;None","0.82A","5ik1A-1dubA:0.0","5ersA-1bucA:23.16"],["5IZF_E_AZ1E2_1","CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA;6J9-ZEU-DAR-ACA-DAR-NH2","1q51","MENB","Mycobacterium tuberculosis",4,"GLY A 105;GLY A 161;SER A 164;LEU A 137","CAA A 501 (-3.9A);CAA A 501 (-3.3A);None;None","0.81A","5izfA-1q51A:undetectable","5ik1A-1dubA:18.63"],["5VEU_A_RITA602_2","CYTOCHROME P450 3A5","1ee0","2-PYRONE SYNTHASE","Gerbera hybrid cultivar",3,"ARG A 274;PHE A 378;LEU A 219","CAA A 600 (-3.1A);None;CAA A 600 ( 4.8A)","0.81A","5veuA-1ee0A:0.0","5izfA-1q51A:22.14"],["5WZ1_B_SAMB601_0","NS5 METHYLTRANSFERASE","5lnq","3-KETOACYL-COA THIOLASE-LIKE PROTEIN","Leishmania mexicana",6,"GLY A 391;GLY A 427;GLY A 121;GLY A 126;THR A 432;LYS A 431","None;CAA A 501 (-3.1A);None;None;None;None","1.43A","5wz1B-5lnqA:undetectable","5veuA-1ee0A:23.22"],["5WZ2_A_SAMA601_0","NS5 MTASE","5lnq","3-KETOACYL-COA THIOLASE-LIKE PROTEIN","Leishmania mexicana",6,"GLY A 391;GLY A 427;GLY A 121;GLY A 126;THR A 432;LYS A 431","None;CAA A 501 (-3.1A);None;None;None;None","1.45A","5wz2A-5lnqA:undetectable","5wz1B-5lnqA:20.46"],["5WZ2_B_SAMB601_0","NS5 MTASE","5lnq","3-KETOACYL-COA THIOLASE-LIKE PROTEIN","Leishmania mexicana",6,"GLY A 391;GLY A 427;GLY A 121;GLY A 126;THR A 432;LYS A 431","None;CAA A 501 (-3.1A);None;None;None;None","1.44A","5wz2B-5lnqA:undetectable","5wz2A-5lnqA:20.46"],["5ZHM_B_SAMB301_1","TRNA (GUANINE-N(1)-)-METHYLTRANSFERASE","1dub","2-ENOYL-COA HYDRATASE","Rattus norvegicus",6,"GLY A 140;GLY A 175;ILE A  66;LEU A 145;GLY A 142;GLY A 141","CAA A 300 (-3.1A);None;None;None;None;CAA A 300 (-3.6A)","1.40A","5zhmB-1dubA:undetectable","5wz2B-5lnqA:20.46"],["6AG0_A_ACRA606_0","ALPHA-AMYLASE","2uzf","NAPHTHOATE SYNTHASE","Staphylococcus aureus",5,"GLY A 121;GLY A 120;GLY A 144;PRO A 145;GLY A 148","CAA A1274 (-3.8A);CAA A1274 ( 4.3A);None;None;None","0.93A","6ag0A-2uzfA:undetectable","5zhmB-1dubA:20.41"],["6AG0_C_ACRC607_0","ALPHA-AMYLASE","1dub","2-ENOYL-COA HYDRATASE","Rattus norvegicus",4,"GLY A 172;ASP A 121;GLY A 140;GLY A 142","CAA A 300 (-3.2A);None;CAA A 300 (-3.1A);None","0.74A","6ag0C-1dubA:undetectable","6ag0A-2uzfA:13.31"]]