SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'LMR'

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.	1G60_A_SAMA500_0 (ADENINE-SPECIFIC METHYLTRANSFERASE MBOIIA)	3rrp	PROBABLE FUMARATE HYDRATASE FUM (Mycobacteroides abscessus)	5 / 12	ASN A 367 PHE A 97 GLY A 100 SER A 101 THR A 103	None None None LMR A 468 (-2.9A) LMR A 468 (-2.9A)	1.33A	1g60A-3rrpA: undetectable	1g60A-3rrpA: 18.55
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.	1HTT_A_HISA450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	5 / 10	GLU A 95 GLN A 145 TYR A 310 TYR A 333 GLY A 348	LMR A 401 (-3.4A) LMR A 401 (-3.7A) None LMR A 401 (-4.1A) LMR A 401 (-3.4A)	1.16A	1httA-3racA: 26.2	1httA-3racA: 25.00
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.	1HTT_A_HISA450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	6 / 10	GLU A 95 THR A 97 GLU A 149 TYR A 310 TYR A 311 GLY A 331	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) None LMR A 401 (-4.5A) None	0.99A	1httA-3racA: 26.2	1httA-3racA: 25.00
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.	1HTT_A_HISA450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	7 / 10	GLU A 95 THR A 97 TYR A 119 ARG A 125 GLN A 145 GLU A 149 GLY A 330	LMR A 401 (-3.4A) LMR A 401 (-3.5A) None None LMR A 401 (-3.7A) LMR A 401 (-3.7A) LMR A 401 (-3.5A)	1.00A	1httA-3racA: 26.2	1httA-3racA: 25.00
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.	1HTT_A_HISA450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	9 / 10	GLU A 95 THR A 97 TYR A 119 GLN A 145 GLU A 149 ARG A 306 TYR A 310 TYR A 311 GLY A 330	LMR A 401 (-3.4A) LMR A 401 (-3.5A) None LMR A 401 (-3.7A) LMR A 401 (-3.7A) None None LMR A 401 (-4.5A) LMR A 401 (-3.5A)	0.62A	1httA-3racA: 26.2	1httA-3racA: 25.00
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.	1HTT_A_HISA450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	5 / 10	TYR A 119 ARG A 125 GLN A 145 GLU A 149 TYR A 310	None None LMR A 401 (-3.7A) LMR A 401 (-3.7A) None	1.34A	1httA-3racA: 26.2	1httA-3racA: 25.00
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.	1HTT_B_HISB450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	5 / 12	GLU A 95 GLN A 145 TYR A 310 TYR A 333 GLY A 330	LMR A 401 (-3.4A) LMR A 401 (-3.7A) None LMR A 401 (-4.1A) LMR A 401 (-3.5A)	1.30A	1httB-3racA: 25.8	1httB-3racA: 25.00
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.	1HTT_B_HISB450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	8 / 12	GLU A 95 THR A 97 ARG A 125 GLN A 145 GLU A 149 ARG A 306 GLY A 330 GLY A 348	LMR A 401 (-3.4A) LMR A 401 (-3.5A) None LMR A 401 (-3.7A) LMR A 401 (-3.7A) None LMR A 401 (-3.5A) LMR A 401 (-3.4A)	0.95A	1httB-3racA: 25.8	1httB-3racA: 25.00
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.	1HTT_B_HISB450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	8 / 12	GLU A 95 THR A 97 ARG A 125 GLN A 145 GLU A 149 ARG A 306 TYR A 333 GLY A 348	LMR A 401 (-3.4A) LMR A 401 (-3.5A) None LMR A 401 (-3.7A) LMR A 401 (-3.7A) None LMR A 401 (-4.1A) LMR A 401 (-3.4A)	1.03A	1httB-3racA: 25.8	1httB-3racA: 25.00
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.	1HTT_B_HISB450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	9 / 12	GLU A 95 THR A 97 GLN A 145 GLU A 149 ARG A 306 TYR A 310 TYR A 311 GLY A 330 GLY A 348	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) LMR A 401 (-3.7A) None None LMR A 401 (-4.5A) LMR A 401 (-3.5A) LMR A 401 (-3.4A)	0.57A	1httB-3racA: 25.8	1httB-3racA: 25.00
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.	1HTT_B_HISB450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	9 / 12	GLU A 95 THR A 97 GLN A 145 GLU A 149 ARG A 306 TYR A 310 TYR A 311 TYR A 333 GLY A 348	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) LMR A 401 (-3.7A) None None LMR A 401 (-4.5A) LMR A 401 (-4.1A) LMR A 401 (-3.4A)	0.71A	1httB-3racA: 25.8	1httB-3racA: 25.00
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.	1HTT_B_HISB450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	9 / 12	THR A 97 GLN A 145 GLU A 149 ARG A 306 LEU A 308 TYR A 310 TYR A 311 GLY A 330 GLY A 348	LMR A 401 (-3.5A) LMR A 401 (-3.7A) LMR A 401 (-3.7A) None None None LMR A 401 (-4.5A) LMR A 401 (-3.5A) LMR A 401 (-3.4A)	0.46A	1httB-3racA: 25.8	1httB-3racA: 25.00
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.	1HTT_B_HISB450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	9 / 12	THR A 97 GLN A 145 GLU A 149 ARG A 306 LEU A 308 TYR A 310 TYR A 311 TYR A 333 GLY A 348	LMR A 401 (-3.5A) LMR A 401 (-3.7A) LMR A 401 (-3.7A) None None None LMR A 401 (-4.5A) LMR A 401 (-4.1A) LMR A 401 (-3.4A)	0.63A	1httB-3racA: 25.8	1httB-3racA: 25.00
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.	1HTT_B_HISB450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	7 / 12	THR A 97 GLU A 149 LEU A 308 TYR A 310 TYR A 311 GLY A 331 GLY A 348	LMR A 401 (-3.5A) LMR A 401 (-3.7A) None None LMR A 401 (-4.5A) None LMR A 401 (-3.4A)	1.17A	1httB-3racA: 25.8	1httB-3racA: 25.00
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.	1HTT_C_HISC450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	6 / 12	GLU A 95 GLN A 145 TYR A 310 TYR A 333 GLY A 330 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.7A) None LMR A 401 (-4.1A) LMR A 401 (-3.5A) LMR A 401 ( 3.9A)	1.42A	1httC-3racA: 26.3	1httC-3racA: 25.00
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.	1HTT_C_HISC450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	11 / 12	GLU A 95 THR A 97 GLN A 145 GLU A 149 ARG A 306 LEU A 308 TYR A 310 TYR A 311 GLY A 330 GLY A 348 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) LMR A 401 (-3.7A) None None None LMR A 401 (-4.5A) LMR A 401 (-3.5A) LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	0.52A	1httC-3racA: 26.3	1httC-3racA: 25.00
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.	1HTT_C_HISC450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	11 / 12	GLU A 95 THR A 97 GLN A 145 GLU A 149 ARG A 306 LEU A 308 TYR A 310 TYR A 311 TYR A 333 GLY A 348 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) LMR A 401 (-3.7A) None None None LMR A 401 (-4.5A) LMR A 401 (-4.1A) LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	0.71A	1httC-3racA: 26.3	1httC-3racA: 25.00
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.	1HTT_C_HISC450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	8 / 12	GLU A 95 THR A 97 GLU A 149 LEU A 308 TYR A 310 TYR A 311 GLY A 331 GLY A 348	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) None None LMR A 401 (-4.5A) None LMR A 401 (-3.4A)	1.11A	1httC-3racA: 26.3	1httC-3racA: 25.00
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.	1HTT_D_HISD450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	8 / 12	GLU A 95 THR A 97 ARG A 125 GLN A 145 GLU A 149 GLY A 330 GLY A 348 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.5A) None LMR A 401 (-3.7A) LMR A 401 (-3.7A) LMR A 401 (-3.5A) LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	0.89A	1httD-3racA: 25.9	1httD-3racA: 25.00
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.	1HTT_D_HISD450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	11 / 12	GLU A 95 THR A 97 GLN A 145 GLU A 149 ARG A 306 LEU A 308 TYR A 310 TYR A 311 GLY A 330 GLY A 348 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) LMR A 401 (-3.7A) None None None LMR A 401 (-4.5A) LMR A 401 (-3.5A) LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	0.56A	1httD-3racA: 25.9	1httD-3racA: 25.00
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.	1HTT_D_HISD450_0 (HISTIDYL-TRNA SYNTHETASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	8 / 12	GLU A 95 THR A 97 GLU A 149 LEU A 308 TYR A 310 TYR A 311 GLY A 331 GLY A 348	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) None None LMR A 401 (-4.5A) None LMR A 401 (-3.4A)	1.08A	1httD-3racA: 25.9	1httD-3racA: 25.00
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.	1I00_B_D16B409_1 (THYMIDYLATE SYNTHASE)	4o7m	TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT (Shewanella loihica)	5 / 9	PHE A 72 ASP A 80 GLY A 79 PHE A 78 ASN A 82	None LMR A 401 ( 4.1A) None None None	1.35A	1i00B-4o7mA: undetectable	1i00B-4o7mA: 21.33
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.	1MJQ_B_SAMB200_0 (METHIONINE REPRESSOR)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	5 / 11	GLU A 354 GLU A 307 LEU A 308 GLU A 95 PRO A 94	GOL A 371 ( 4.8A) None None LMR A 401 (-3.4A) None	1.39A	1mjqA-3racA: undetectable 1mjqB-3racA: undetectable	1mjqA-3racA: 13.48 1mjqB-3racA: 13.48
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.	1R15_C_NCAC339_0 (ADP-RIBOSYL CYCLASE)	5apa	ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE (Homo sapiens)	3 / 3	GLU A 617 ASN A 618 TRP A 625	LMR A1760 ( 4.7A) NI A1759 ( 4.7A) LMR A1760 (-4.2A)	1.25A	1r15C-5apaA: undetectable	1r15C-5apaA: 22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1R15_D_NCAD349_0 (ADP-RIBOSYL CYCLASE)	5apa	ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE (Homo sapiens)	3 / 3	GLU A 617 ASN A 618 TRP A 625	LMR A1760 ( 4.7A) NI A1759 ( 4.7A) LMR A1760 (-4.2A)	1.23A	1r15D-5apaA: undetectable	1r15D-5apaA: 22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1R15_E_NCAE359_0 (ADP-RIBOSYL CYCLASE)	5apa	ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE (Homo sapiens)	3 / 3	GLU A 617 ASN A 618 TRP A 625	LMR A1760 ( 4.7A) NI A1759 ( 4.7A) LMR A1760 (-4.2A)	1.25A	1r15E-5apaA: undetectable	1r15E-5apaA: 22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1R15_F_NCAF369_0 (ADP-RIBOSYL CYCLASE)	5apa	ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE (Homo sapiens)	3 / 3	GLU A 617 ASN A 618 TRP A 625	LMR A1760 ( 4.7A) NI A1759 ( 4.7A) LMR A1760 (-4.2A)	1.22A	1r15F-5apaA: undetectable	1r15F-5apaA: 22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1T9W_A_NFNA6001_1 (ACRIFLAVINE RESISTANCE PROTEIN B)	5l2r	FUMARATE HYDRATASE (Leishmania major)	3 / 3	SER A 217 GLY A 216 ARG A 350	SF4 A 608 ( 4.5A) LMR A 601 (-3.1A) SF4 A 608 ( 4.5A)	0.66A	1t9wA-5l2rA: undetectable	1t9wA-5l2rA: 20.19
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.	1UOF_A_PNNA1312_0 (DEACETOXYCEPHALOSPOR IN C SYNTHETASE)	5apa	ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE (Homo sapiens)	5 / 11	HIS A 679 HIS A 725 VAL A 727 ARG A 735 SER A 668	NI A1759 ( 3.2A) NI A1759 ( 3.3A) LMR A1760 ( 4.9A) LMR A1760 (-2.9A) LMR A1760 (-2.7A)	1.23A	1uofA-5apaA: 7.2	1uofA-5apaA: 21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1YVM_A_TMGA501_1 (METHIONINE AMINOPEPTIDASE)	3tav	METHIONINE AMINOPEPTIDASE (Mycobacteroides abscessus)	5 / 7	TYR A 69 CYH A 77 HIS A 86 HIS A 191 TRP A 234	LMR A 271 ( 4.9A) LMR A 271 (-3.6A) LMR A 271 (-3.9A) LMR A 271 (-4.4A) None	0.45A	1yvmA-3tavA: 36.9	1yvmA-3tavA: 35.37
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.	2GVC_E_MMZE501_1 (MONOOXYGENASE)	4o7m	TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT (Shewanella loihica)	3 / 3	ASN A 216 TYR A 243 SER A 219	LMR A 401 (-3.4A) LMR A 401 (-4.5A) None	0.93A	2gvcE-4o7mA: undetectable	2gvcE-4o7mA: 21.51
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.	2HA4_B_ACHB603_0 (ACETYLCHOLINESTERASE)	3tav	METHIONINE AMINOPEPTIDASE (Mycobacteroides abscessus)	4 / 7	TYR A 69 GLU A 217 HIS A 184 GLY A 183	LMR A 271 ( 4.9A) MG A 266 (-2.7A) MG A 266 (-3.4A) None	1.06A	2ha4B-3tavA: undetectable	2ha4B-3tavA: 18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2Y4N_B_PACB503_0 (PHENYLACETATE-COENZY ME A LIGASE)	5l2r	FUMARATE HYDRATASE (Leishmania major)	4 / 4	SER A 347 GLY A 248 GLY A 492 LYS A 491	None None None LMR A 601 ( 2.6A)	0.92A	2y4nB-5l2rA: 2.3	2y4nB-5l2rA: 23.33
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.	2ZWE_B_DAHB98_1 (TYROSINASE MELC)	5apa	ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE (Homo sapiens)	5 / 11	HIS A 690 ILE A 739 HIS A 679 ASN A 618 ASP A 616	LMR A1760 (-3.8A) LMR A1760 (-4.0A) NI A1759 ( 3.2A) NI A1759 ( 4.7A) None	1.16A	2zweA-5apaA: undetectable 2zweB-5apaA: undetectable	2zweA-5apaA: 21.88 2zweB-5apaA: 17.27
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.	3AF3_A_PAUA314_0 (PANTOTHENATE KINASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	4 / 6	TYR A 333 ARG A 332 PHE A 316 PHE A 349	LMR A 401 (-4.1A) None None None	1.23A	3af3A-3racA: undetectable	3af3A-3racA: 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.	3DH0_A_SAMA220_1 (SAM DEPENDENT METHYLTRANSFERASE)	5apa	ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE (Homo sapiens)	4 / 8	ARG A 735 ASP A 741 GLN A 664 GLU A 617	LMR A1760 (-2.9A) None None LMR A1760 ( 4.7A)	1.22A	3dh0A-5apaA: undetectable	3dh0A-5apaA: 18.91
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.	3IJD_B_C2FB314_0 (UNCHARACTERIZED PROTEIN)	5l8x	TETRAHYDROMETHANOPTE RIN S-METHYLTRANSFERASE SUBUNIT A (Methanocaldococc us jannaschii)	5 / 12	CYH A 52 VAL A 30 GLY A 50 ILE A 72 ILE A 67	LMR A 201 (-4.6A) None None None None	1.02A	3ijdB-5l8xA: undetectable	3ijdB-5l8xA: 18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3R75_A_BEZA701_0 (ANTHRANILATE/PARA-AM INOBENZOATE SYNTHASES COMPONENT I)	3rrp	PROBABLE FUMARATE HYDRATASE FUM (Mycobacteroides abscessus)	5 / 12	ILE A 361 SER A 101 GLY A 100 SER A 104 THR A 103	None LMR A 468 (-2.9A) None None LMR A 468 (-2.9A)	1.15A	3r75A-3rrpA: undetectable	3r75A-3rrpA: 22.63
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.	3R75_B_BEZB701_0 (ANTHRANILATE/PARA-AM INOBENZOATE SYNTHASES COMPONENT I)	3rrp	PROBABLE FUMARATE HYDRATASE FUM (Mycobacteroides abscessus)	5 / 12	ILE A 361 SER A 101 GLY A 100 SER A 104 THR A 103	None LMR A 468 (-2.9A) None None LMR A 468 (-2.9A)	1.16A	3r75B-3rrpA: undetectable	3r75B-3rrpA: 22.63
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.	3SI7_A_ACTA5_0 (CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR)	4nf0	PROBABLE C4-DICARBOXYLATE-BIN DING PROTEIN (Pseudomonas aeruginosa)	3 / 3	LYS A 151 SER A 93 GLN A 173	None LMR A 401 (-4.0A) LMR A 401 (-3.6A)	1.38A	3si7A-4nf0A: undetectable	3si7A-4nf0A: 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.	3T7S_A_SAMA300_0 (PUTATIVE METHYLTRANSFERASE)	5l2r	FUMARATE HYDRATASE (Leishmania major)	5 / 12	GLY A 214 GLY A 137 ASP A 135 ALA A 218 ASN A 219	SF4 A 608 (-3.4A) None LMR A 601 ( 3.6A) None LMR A 602 (-4.5A)	0.93A	3t7sA-5l2rA: undetectable	3t7sA-5l2rA: 19.67
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.	3T7S_B_SAMB300_0 (PUTATIVE METHYLTRANSFERASE)	5l2r	FUMARATE HYDRATASE (Leishmania major)	5 / 12	GLY A 214 GLY A 137 ASP A 135 ALA A 218 ASN A 219	SF4 A 608 (-3.4A) None LMR A 601 ( 3.6A) None LMR A 602 (-4.5A)	0.94A	3t7sB-5l2rA: undetectable	3t7sB-5l2rA: 19.67
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.	3T7S_D_SAMD300_0 (PUTATIVE METHYLTRANSFERASE)	5l2r	FUMARATE HYDRATASE (Leishmania major)	5 / 12	GLY A 214 GLY A 137 ASP A 135 ALA A 218 ASN A 219	SF4 A 608 (-3.4A) None LMR A 601 ( 3.6A) None LMR A 602 (-4.5A)	0.87A	3t7sD-5l2rA: undetectable	3t7sD-5l2rA: 19.67
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.	3V8V_B_SAMB802_0 (RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE L)	3rrp	PROBABLE FUMARATE HYDRATASE FUM (Mycobacteroides abscessus)	5 / 12	PHE A 240 SER A 263 SER A 137 CYH A 58 PRO A 237	None None LMR A 468 (-2.7A) None None	1.39A	3v8vB-3rrpA: undetectable	3v8vB-3rrpA: 21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4B9Z_A_ACRA1818_1 (ALPHA-GLUCOSIDASE, PUTATIVE, ADG31B)	5apa	ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE (Homo sapiens)	5 / 12	ASP A 741 GLU A 617 ARG A 686 ASP A 721 PHE A 719	None LMR A1760 ( 4.7A) None None None	1.35A	4b9zA-5apaA: undetectable	4b9zA-5apaA: 13.29
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.	4EB4_C_D16C402_1 (THYMIDYLATE SYNTHASE)	4o7m	TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT (Shewanella loihica)	5 / 9	PHE A 72 ASP A 80 GLY A 79 PHE A 78 ASN A 82	None LMR A 401 ( 4.1A) None None None	1.39A	4eb4C-4o7mA: undetectable	4eb4C-4o7mA: 21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4G0V_D_MIXD101_1 (DNA TOPOISOMERASE 2-BETA)	4nf0	PROBABLE C4-DICARBOXYLATE-BIN DING PROTEIN (Pseudomonas aeruginosa)	4 / 6	ARG A 171 GLY A 208 GLN A 181 MET A 307	LMR A 401 (-2.9A) None None None	0.86A	4g0vB-4nf0A: undetectable	4g0vB-4nf0A: 19.25
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.	4G0V_D_MIXD101_1 (DNA TOPOISOMERASE 2-BETA)	4o7m	TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT (Shewanella loihica)	4 / 6	ARG A 176 GLY A 213 GLN A 186 MET A 312	LMR A 401 (-2.9A) None None None	0.91A	4g0vB-4o7mA: undetectable	4g0vB-4o7mA: 16.56
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.	4HTF_A_SAMA301_0 (S-ADENOSYLMETHIONINE -DEPENDENT METHYLTRANSFERASE)	5l2r	FUMARATE HYDRATASE (Leishmania major)	5 / 12	GLY A 216 GLY A 215 GLY A 214 SER A 345 ALA A 250	LMR A 601 (-3.1A) LMR A 601 ( 4.3A) SF4 A 608 (-3.4A) None LMR A 602 ( 3.8A)	0.97A	4htfA-5l2rA: undetectable	4htfA-5l2rA: 20.20
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.	4HTF_B_SAMB301_0 (S-ADENOSYLMETHIONINE -DEPENDENT METHYLTRANSFERASE)	5l2r	FUMARATE HYDRATASE (Leishmania major)	5 / 12	GLY A 216 GLY A 215 GLY A 214 SER A 345 ALA A 250	LMR A 601 (-3.1A) LMR A 601 ( 4.3A) SF4 A 608 (-3.4A) None LMR A 602 ( 3.8A)	0.99A	4htfB-5l2rA: undetectable	4htfB-5l2rA: 20.20
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.	4KR3_A_GLYA701_0 (GLYCINE--TRNA LIGASE)	4jn7	ENOLASE (Agrobacterium tumefaciens)	4 / 6	ARG A 382 GLU A 242 GLU A 217 SER A 243	LMR A 402 (-4.0A) LMR A 402 ( 2.6A) None None	1.50A	4kr3A-4jn7A: undetectable	4kr3A-4jn7A: 20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4MF6_A_BEZA303_0 (GLUTATHIONE S-TRANSFERASE DOMAIN)	4o7m	TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT (Shewanella loihica)	4 / 5	THR A 46 PRO A 47 PHE A 199 ASN A 153	None None LMR A 401 (-3.6A) None	1.20A	4mf6A-4o7mA: undetectable	4mf6A-4o7mA: 27.57
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.	4PFJ_B_ADNB502_2 (ADENOSYLHOMOCYSTEINA SE)	4nf0	PROBABLE C4-DICARBOXYLATE-BIN DING PROTEIN (Pseudomonas aeruginosa)	4 / 6	GLU A 210 THR A 209 GLN A 173 ASN A 148	None None LMR A 401 (-3.6A) None	1.11A	4pfjB-4nf0A: undetectable	4pfjB-4nf0A: 24.33
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.	4RDX_A_HISA502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	5 / 7	THR A 97 GLU A 149 ARG A 306 GLY A 330 GLY A 348	LMR A 401 (-3.5A) LMR A 401 (-3.7A) None LMR A 401 (-3.5A) LMR A 401 (-3.4A)	1.20A	4rdxA-3racA: 26.4	4rdxA-3racA: 27.06
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.	4RDX_A_HISA502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	4 / 7	THR A 97 GLU A 149 GLY A 331 GLY A 348	LMR A 401 (-3.5A) LMR A 401 (-3.7A) None LMR A 401 (-3.4A)	0.85A	4rdxA-3racA: 26.4	4rdxA-3racA: 27.06
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.	4RDX_A_HISA502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	5 / 7	THR A 97 GLU A 149 TYR A 311 TYR A 333 GLY A 348	LMR A 401 (-3.5A) LMR A 401 (-3.7A) LMR A 401 (-4.5A) LMR A 401 (-4.1A) LMR A 401 (-3.4A)	1.00A	4rdxA-3racA: 26.4	4rdxA-3racA: 27.06
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.	4ZE1_A_X2NA602_2 (LANOSTEROL 14-ALPHA DEMETHYLASE)	3tav	METHIONINE AMINOPEPTIDASE (Mycobacteroides abscessus)	4 / 5	VAL A 237 TYR A 69 ILE A 108 THR A 250	None LMR A 271 ( 4.9A) None None	1.22A	4ze1A-3tavA: undetectable	4ze1A-3tavA: 18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5CDN_G_EVPG2101_1 (DNA GYRASE SUBUNIT A DNA GYRASE SUBUNIT B,DNA GYRASE SUBUNIT B)	4o7m	TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT (Shewanella loihica)	4 / 6	SER A 236 GLU A 235 ARG A 176 GLY A 213	None None LMR A 401 (-2.9A) None	0.77A	5cdnA-4o7mA: undetectable 5cdnB-4o7mA: undetectable	5cdnA-4o7mA: 20.97 5cdnB-4o7mA: 18.40
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.	5E3I_A_HISA502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	6 / 12	ARG A 125 GLN A 145 GLU A 149 TYR A 310 GLY A 348 ALA A 350	None LMR A 401 (-3.7A) LMR A 401 (-3.7A) None LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	1.46A	5e3iA-3racA: 25.9	5e3iA-3racA: 24.01
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.	5E3I_A_HISA502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	6 / 12	GLU A 95 GLN A 145 TYR A 310 TYR A 333 GLY A 330 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.7A) None LMR A 401 (-4.1A) LMR A 401 (-3.5A) LMR A 401 ( 3.9A)	1.50A	5e3iA-3racA: 25.9	5e3iA-3racA: 24.01
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.	5E3I_A_HISA502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	8 / 12	GLU A 95 THR A 97 ARG A 125 GLN A 145 GLU A 149 TYR A 333 GLY A 348 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.5A) None LMR A 401 (-3.7A) LMR A 401 (-3.7A) LMR A 401 (-4.1A) LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	0.91A	5e3iA-3racA: 25.9	5e3iA-3racA: 24.01
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.	5E3I_A_HISA502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	10 / 12	GLU A 95 THR A 97 GLN A 145 GLU A 149 LEU A 308 TYR A 310 TYR A 311 GLY A 330 GLY A 348 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) LMR A 401 (-3.7A) None None LMR A 401 (-4.5A) LMR A 401 (-3.5A) LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	0.44A	5e3iA-3racA: 25.9	5e3iA-3racA: 24.01
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.	5E3I_A_HISA502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	10 / 12	GLU A 95 THR A 97 GLN A 145 GLU A 149 LEU A 308 TYR A 310 TYR A 311 TYR A 333 GLY A 348 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) LMR A 401 (-3.7A) None None LMR A 401 (-4.5A) LMR A 401 (-4.1A) LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	0.62A	5e3iA-3racA: 25.9	5e3iA-3racA: 24.01
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.	5E3I_A_HISA502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	6 / 12	GLU A 95 THR A 97 GLN A 145 TYR A 310 GLY A 348 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) None LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	1.37A	5e3iA-3racA: 25.9	5e3iA-3racA: 24.01
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.	5E3I_A_HISA502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	7 / 12	THR A 97 GLU A 149 LEU A 308 TYR A 310 TYR A 311 GLY A 331 GLY A 348	LMR A 401 (-3.5A) LMR A 401 (-3.7A) None None LMR A 401 (-4.5A) None LMR A 401 (-3.4A)	1.14A	5e3iA-3racA: 25.9	5e3iA-3racA: 24.01
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.	5E3I_B_HISB502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	6 / 11	ARG A 125 GLN A 145 GLU A 149 TYR A 310 GLY A 348 ALA A 350	None LMR A 401 (-3.7A) LMR A 401 (-3.7A) None LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	1.48A	5e3iB-3racA: 26.2	5e3iB-3racA: 24.01
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.	5E3I_B_HISB502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	6 / 11	GLN A 145 GLU A 149 TYR A 311 TYR A 333 GLY A 348 ALA A 350	LMR A 401 (-3.7A) LMR A 401 (-3.7A) LMR A 401 (-4.5A) LMR A 401 (-4.1A) LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	1.18A	5e3iB-3racA: 26.2	5e3iB-3racA: 24.01
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.	5E3I_B_HISB502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	8 / 11	GLU A 95 THR A 97 ARG A 125 GLN A 145 GLU A 149 TYR A 333 GLY A 348 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.5A) None LMR A 401 (-3.7A) LMR A 401 (-3.7A) LMR A 401 (-4.1A) LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	0.91A	5e3iB-3racA: 26.2	5e3iB-3racA: 24.01
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.	5E3I_B_HISB502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	9 / 11	GLU A 95 THR A 97 GLN A 145 GLU A 149 TYR A 310 TYR A 311 GLY A 330 GLY A 348 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) LMR A 401 (-3.7A) None LMR A 401 (-4.5A) LMR A 401 (-3.5A) LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	0.44A	5e3iB-3racA: 26.2	5e3iB-3racA: 24.01
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.	5E3I_B_HISB502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	9 / 11	GLU A 95 THR A 97 GLN A 145 GLU A 149 TYR A 310 TYR A 311 TYR A 333 GLY A 348 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) LMR A 401 (-3.7A) None LMR A 401 (-4.5A) LMR A 401 (-4.1A) LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	0.64A	5e3iB-3racA: 26.2	5e3iB-3racA: 24.01
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.	5E3I_B_HISB502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	6 / 11	GLU A 95 THR A 97 GLN A 145 TYR A 310 GLY A 348 ALA A 350	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) None LMR A 401 (-3.4A) LMR A 401 ( 3.9A)	1.36A	5e3iB-3racA: 26.2	5e3iB-3racA: 24.01
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.	5E3I_B_HISB502_0 (HISTIDINE--TRNA LIGASE)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	7 / 11	GLU A 95 THR A 97 GLU A 149 TYR A 310 TYR A 311 GLY A 331 GLY A 348	LMR A 401 (-3.4A) LMR A 401 (-3.5A) LMR A 401 (-3.7A) None LMR A 401 (-4.5A) None LMR A 401 (-3.4A)	1.16A	5e3iB-3racA: 26.2	5e3iB-3racA: 24.01
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.	5NNW_D_GCSD302_1 (25 KDA PROTEIN ELICITOR)	3tav	METHIONINE AMINOPEPTIDASE (Mycobacteroides abscessus)	4 / 7	GLY A 183 HIS A 184 ASP A 115 HIS A 86	None MG A 266 (-3.4A) MG A 269 ( 2.1A) LMR A 271 (-3.9A)	0.78A	5nnwD-3tavA: undetectable	5nnwD-3tavA: 15.09
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.	5NO9_D_95ZD302_1 (25 KDA PROTEIN ELICITOR)	3tav	METHIONINE AMINOPEPTIDASE (Mycobacteroides abscessus)	4 / 7	GLY A 183 HIS A 184 ASP A 115 HIS A 86	None MG A 266 (-3.4A) MG A 269 ( 2.1A) LMR A 271 (-3.9A)	0.77A	5no9D-3tavA: undetectable	5no9D-3tavA: 15.09
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.	5O4Y_D_CCSD14_0 (PHE-MAA-ASN-PRO-HIS- LEU-SER-TRP-SER-TRP- 9KK-9KK-ARG-CCS-GLY- NH2 PROGRAMMED CELL DEATH 1 LIGAND 1)	3rac	HISTIDINE-TRNA LIGASE (Alicyclobacillus acidocaldarius)	5 / 12	LEU A 336 ARG A 150 GLY A 348 VAL A 347 ARG A 332	None None LMR A 401 (-3.4A) None None	1.32A	5o4yD-3racA: undetectable 5o4yE-3racA: undetectable	5o4yD-3racA: 4.00 5o4yE-3racA: 15.65
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.	5Z0F_B_DAHB98_0 (MELC TYROSINASE)	5apa	ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE (Homo sapiens)	5 / 11	HIS A 690 ILE A 739 HIS A 679 ASN A 618 ASP A 616	LMR A1760 (-3.8A) LMR A1760 (-4.0A) NI A1759 ( 3.2A) NI A1759 ( 4.7A) None	1.11A	5z0fA-5apaA: undetectable 5z0fB-5apaA: undetectable	5z0fA-5apaA: 16.51 5z0fB-5apaA: 14.62
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.	5Z0G_B_DAHB98_0 (MELC TYROSINASE)	5apa	ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE (Homo sapiens)	5 / 11	HIS A 690 ILE A 739 HIS A 679 ASN A 618 ASP A 616	LMR A1760 (-3.8A) LMR A1760 (-4.0A) NI A1759 ( 3.2A) NI A1759 ( 4.7A) None	1.11A	5z0gA-5apaA: undetectable 5z0gB-5apaA: undetectable	5z0gA-5apaA: 16.51 5z0gB-5apaA: 14.62

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1G60_A_SAMA500_0","ADENINE-SPECIFIC METHYLTRANSFERASE MBOIIA","3rrp","PROBABLE FUMARATE HYDRATASE FUM","Mycobacteroides abscessus",5,"ASN A 367;PHE A  97;GLY A 100;SER A 101;THR A 103","None;None;None;LMR A 468 (-2.9A);LMR A 468 (-2.9A)","1.33A","1g60A-3rrpA:undetectable",null],["1HTT_A_HISA450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",5,"GLU A  95;GLN A 145;TYR A 310;TYR A 333;GLY A 348","LMR A 401 (-3.4A);LMR A 401 (-3.7A);None;LMR A 401 (-4.1A);LMR A 401 (-3.4A)","1.16A","1httA-3racA:26.2","1g60A-3rrpA:18.55"],["1HTT_A_HISA450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",6,"GLU A  95;THR A  97;GLU A 149;TYR A 310;TYR A 311;GLY A 331","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);None;LMR A 401 (-4.5A);None","0.99A","1httA-3racA:26.2","1httA-3racA:25.00"],["1HTT_A_HISA450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",7,"GLU A  95;THR A  97;TYR A 119;ARG A 125;GLN A 145;GLU A 149;GLY A 330","LMR A 401 (-3.4A);LMR A 401 (-3.5A);None;None;LMR A 401 (-3.7A);LMR A 401 (-3.7A);LMR A 401 (-3.5A)","1.00A","1httA-3racA:26.2","1httA-3racA:25.00"],["1HTT_A_HISA450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",9,"GLU A  95;THR A  97;TYR A 119;GLN A 145;GLU A 149;ARG A 306;TYR A 310;TYR A 311;GLY A 330","LMR A 401 (-3.4A);LMR A 401 (-3.5A);None;LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;None;LMR A 401 (-4.5A);LMR A 401 (-3.5A)","0.62A","1httA-3racA:26.2","1httA-3racA:25.00"],["1HTT_A_HISA450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",5,"TYR A 119;ARG A 125;GLN A 145;GLU A 149;TYR A 310","None;None;LMR A 401 (-3.7A);LMR A 401 (-3.7A);None","1.34A","1httA-3racA:26.2","1httA-3racA:25.00"],["1HTT_B_HISB450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",5,"GLU A  95;GLN A 145;TYR A 310;TYR A 333;GLY A 330","LMR A 401 (-3.4A);LMR A 401 (-3.7A);None;LMR A 401 (-4.1A);LMR A 401 (-3.5A)","1.30A","1httB-3racA:25.8","1httA-3racA:25.00"],["1HTT_B_HISB450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",8,"GLU A  95;THR A  97;ARG A 125;GLN A 145;GLU A 149;ARG A 306;GLY A 330;GLY A 348","LMR A 401 (-3.4A);LMR A 401 (-3.5A);None;LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;LMR A 401 (-3.5A);LMR A 401 (-3.4A)","0.95A","1httB-3racA:25.8","1httB-3racA:25.00"],["1HTT_B_HISB450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",8,"GLU A  95;THR A  97;ARG A 125;GLN A 145;GLU A 149;ARG A 306;TYR A 333;GLY A 348","LMR A 401 (-3.4A);LMR A 401 (-3.5A);None;LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;LMR A 401 (-4.1A);LMR A 401 (-3.4A)","1.03A","1httB-3racA:25.8","1httB-3racA:25.00"],["1HTT_B_HISB450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",9,"GLU A  95;THR A  97;GLN A 145;GLU A 149;ARG A 306;TYR A 310;TYR A 311;GLY A 330;GLY A 348","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;None;LMR A 401 (-4.5A);LMR A 401 (-3.5A);LMR A 401 (-3.4A)","0.57A","1httB-3racA:25.8","1httB-3racA:25.00"],["1HTT_B_HISB450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",9,"GLU A  95;THR A  97;GLN A 145;GLU A 149;ARG A 306;TYR A 310;TYR A 311;TYR A 333;GLY A 348","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;None;LMR A 401 (-4.5A);LMR A 401 (-4.1A);LMR A 401 (-3.4A)","0.71A","1httB-3racA:25.8","1httB-3racA:25.00"],["1HTT_B_HISB450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",9,"THR A  97;GLN A 145;GLU A 149;ARG A 306;LEU A 308;TYR A 310;TYR A 311;GLY A 330;GLY A 348","LMR A 401 (-3.5A);LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;None;None;LMR A 401 (-4.5A);LMR A 401 (-3.5A);LMR A 401 (-3.4A)","0.46A","1httB-3racA:25.8","1httB-3racA:25.00"],["1HTT_B_HISB450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",9,"THR A  97;GLN A 145;GLU A 149;ARG A 306;LEU A 308;TYR A 310;TYR A 311;TYR A 333;GLY A 348","LMR A 401 (-3.5A);LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;None;None;LMR A 401 (-4.5A);LMR A 401 (-4.1A);LMR A 401 (-3.4A)","0.63A","1httB-3racA:25.8","1httB-3racA:25.00"],["1HTT_B_HISB450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",7,"THR A  97;GLU A 149;LEU A 308;TYR A 310;TYR A 311;GLY A 331;GLY A 348","LMR A 401 (-3.5A);LMR A 401 (-3.7A);None;None;LMR A 401 (-4.5A);None;LMR A 401 (-3.4A)","1.17A","1httB-3racA:25.8","1httB-3racA:25.00"],["1HTT_C_HISC450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",6,"GLU A  95;GLN A 145;TYR A 310;TYR A 333;GLY A 330;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.7A);None;LMR A 401 (-4.1A);LMR A 401 (-3.5A);LMR A 401 ( 3.9A)","1.42A","1httC-3racA:26.3","1httB-3racA:25.00"],["1HTT_C_HISC450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",11,"GLU A  95;THR A  97;GLN A 145;GLU A 149;ARG A 306;LEU A 308;TYR A 310;TYR A 311;GLY A 330;GLY A 348;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;None;None;LMR A 401 (-4.5A);LMR A 401 (-3.5A);LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","0.52A","1httC-3racA:26.3","1httC-3racA:25.00"],["1HTT_C_HISC450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",11,"GLU A  95;THR A  97;GLN A 145;GLU A 149;ARG A 306;LEU A 308;TYR A 310;TYR A 311;TYR A 333;GLY A 348;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;None;None;LMR A 401 (-4.5A);LMR A 401 (-4.1A);LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","0.71A","1httC-3racA:26.3","1httC-3racA:25.00"],["1HTT_C_HISC450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",8,"GLU A  95;THR A  97;GLU A 149;LEU A 308;TYR A 310;TYR A 311;GLY A 331;GLY A 348","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);None;None;LMR A 401 (-4.5A);None;LMR A 401 (-3.4A)","1.11A","1httC-3racA:26.3","1httC-3racA:25.00"],["1HTT_D_HISD450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",8,"GLU A  95;THR A  97;ARG A 125;GLN A 145;GLU A 149;GLY A 330;GLY A 348;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.5A);None;LMR A 401 (-3.7A);LMR A 401 (-3.7A);LMR A 401 (-3.5A);LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","0.89A","1httD-3racA:25.9","1httC-3racA:25.00"],["1HTT_D_HISD450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",11,"GLU A  95;THR A  97;GLN A 145;GLU A 149;ARG A 306;LEU A 308;TYR A 310;TYR A 311;GLY A 330;GLY A 348;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;None;None;LMR A 401 (-4.5A);LMR A 401 (-3.5A);LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","0.56A","1httD-3racA:25.9","1httD-3racA:25.00"],["1HTT_D_HISD450_0","HISTIDYL-TRNA SYNTHETASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",8,"GLU A  95;THR A  97;GLU A 149;LEU A 308;TYR A 310;TYR A 311;GLY A 331;GLY A 348","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);None;None;LMR A 401 (-4.5A);None;LMR A 401 (-3.4A)","1.08A","1httD-3racA:25.9","1httD-3racA:25.00"],["1I00_B_D16B409_1","THYMIDYLATE SYNTHASE","4o7m","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT","Shewanella loihica",5,"PHE A  72;ASP A  80;GLY A  79;PHE A  78;ASN A  82","None;LMR A 401 ( 4.1A);None;None;None","1.35A","1i00B-4o7mA:undetectable","1httD-3racA:25.00"],["1MJQ_B_SAMB200_0","METHIONINE REPRESSOR","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",5,"GLU A 354;GLU A 307;LEU A 308;GLU A  95;PRO A  94","GOL A 371 ( 4.8A);None;None;LMR A 401 (-3.4A);None","1.39A","1mjqA-3racA:undetectable;1mjqB-3racA:undetectable","1i00B-4o7mA:21.33"],["1R15_C_NCAC339_0","ADP-RIBOSYL CYCLASE","5apa","ASPARTYL\/ASPARAGINYL BETA-HYDROXYLASE","Homo sapiens",3,"GLU A 617;ASN A 618;TRP A 625","LMR A1760 ( 4.7A); NI A1759 ( 4.7A);LMR A1760 (-4.2A)","1.25A","1r15C-5apaA:undetectable","1mjqA-3racA:13.48;1mjqB-3racA:13.48"],["1R15_D_NCAD349_0","ADP-RIBOSYL CYCLASE","5apa","ASPARTYL\/ASPARAGINYL BETA-HYDROXYLASE","Homo sapiens",3,"GLU A 617;ASN A 618;TRP A 625","LMR A1760 ( 4.7A); NI A1759 ( 4.7A);LMR A1760 (-4.2A)","1.23A","1r15D-5apaA:undetectable","1r15C-5apaA:22.59"],["1R15_E_NCAE359_0","ADP-RIBOSYL CYCLASE","5apa","ASPARTYL\/ASPARAGINYL BETA-HYDROXYLASE","Homo sapiens",3,"GLU A 617;ASN A 618;TRP A 625","LMR A1760 ( 4.7A); NI A1759 ( 4.7A);LMR A1760 (-4.2A)","1.25A","1r15E-5apaA:undetectable","1r15D-5apaA:22.59"],["1R15_F_NCAF369_0","ADP-RIBOSYL CYCLASE","5apa","ASPARTYL\/ASPARAGINYL BETA-HYDROXYLASE","Homo sapiens",3,"GLU A 617;ASN A 618;TRP A 625","LMR A1760 ( 4.7A); NI A1759 ( 4.7A);LMR A1760 (-4.2A)","1.22A","1r15F-5apaA:undetectable","1r15E-5apaA:22.59"],["1T9W_A_NFNA6001_1","ACRIFLAVINE RESISTANCE PROTEIN B","5l2r","FUMARATE HYDRATASE","Leishmania major",3,"SER A 217;GLY A 216;ARG A 350","SF4 A 608 ( 4.5A);LMR A 601 (-3.1A);SF4 A 608 ( 4.5A)","0.66A","1t9wA-5l2rA:undetectable","1r15F-5apaA:22.59"],["1UOF_A_PNNA1312_0","DEACETOXYCEPHALOSPORIN C SYNTHETASE","5apa","ASPARTYL\/ASPARAGINYL BETA-HYDROXYLASE","Homo sapiens",5,"HIS A 679;HIS A 725;VAL A 727;ARG A 735;SER A 668"," NI A1759 ( 3.2A); NI A1759 ( 3.3A);LMR A1760 ( 4.9A);LMR A1760 (-2.9A);LMR A1760 (-2.7A)","1.23A","1uofA-5apaA:7.2","1t9wA-5l2rA:20.19"],["1YVM_A_TMGA501_1","METHIONINE AMINOPEPTIDASE","3tav","METHIONINE AMINOPEPTIDASE","Mycobacteroides abscessus",5,"TYR A  69;CYH A  77;HIS A  86;HIS A 191;TRP A 234","LMR A 271 ( 4.9A);LMR A 271 (-3.6A);LMR A 271 (-3.9A);LMR A 271 (-4.4A);None","0.45A","1yvmA-3tavA:36.9","1uofA-5apaA:21.17"],["2GVC_E_MMZE501_1","MONOOXYGENASE","4o7m","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT","Shewanella loihica",3,"ASN A 216;TYR A 243;SER A 219","LMR A 401 (-3.4A);LMR A 401 (-4.5A);None","0.93A","2gvcE-4o7mA:undetectable","1yvmA-3tavA:35.37"],["2HA4_B_ACHB603_0","ACETYLCHOLINESTERASE","3tav","METHIONINE AMINOPEPTIDASE","Mycobacteroides abscessus",4,"TYR A  69;GLU A 217;HIS A 184;GLY A 183","LMR A 271 ( 4.9A); MG A 266 (-2.7A); MG A 266 (-3.4A);None","1.06A","2ha4B-3tavA:undetectable","2gvcE-4o7mA:21.51"],["2Y4N_B_PACB503_0","PHENYLACETATE-COENZYME A LIGASE","5l2r","FUMARATE HYDRATASE","Leishmania major",4,"SER A 347;GLY A 248;GLY A 492;LYS A 491","None;None;None;LMR A 601 ( 2.6A)","0.92A","2y4nB-5l2rA:2.3","2ha4B-3tavA:18.58"],["2ZWE_B_DAHB98_1","TYROSINASE;MELC","5apa","ASPARTYL\/ASPARAGINYL BETA-HYDROXYLASE","Homo sapiens",5,"HIS A 690;ILE A 739;HIS A 679;ASN A 618;ASP A 616","LMR A1760 (-3.8A);LMR A1760 (-4.0A); NI A1759 ( 3.2A); NI A1759 ( 4.7A);None","1.16A","2zweA-5apaA:undetectable;2zweB-5apaA:undetectable","2y4nB-5l2rA:23.33"],["3AF3_A_PAUA314_0","PANTOTHENATE KINASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",4,"TYR A 333;ARG A 332;PHE A 316;PHE A 349","LMR A 401 (-4.1A);None;None;None","1.23A","3af3A-3racA:undetectable","2zweA-5apaA:21.88;2zweB-5apaA:17.27"],["3DH0_A_SAMA220_1","SAM DEPENDENT METHYLTRANSFERASE","5apa","ASPARTYL\/ASPARAGINYL BETA-HYDROXYLASE","Homo sapiens",4,"ARG A 735;ASP A 741;GLN A 664;GLU A 617","LMR A1760 (-2.9A);None;None;LMR A1760 ( 4.7A)","1.22A","3dh0A-5apaA:undetectable","3af3A-3racA:22.14"],["3IJD_B_C2FB314_0","UNCHARACTERIZED PROTEIN","5l8x","TETRAHYDROMETHANOPTERIN S-METHYLTRANSFERASE SUBUNIT A","Methanocaldococcus jannaschii",5,"CYH A  52;VAL A  30;GLY A  50;ILE A  72;ILE A  67","LMR A 201 (-4.6A);None;None;None;None","1.02A","3ijdB-5l8xA:undetectable","3dh0A-5apaA:18.91"],["3R75_A_BEZA701_0","ANTHRANILATE\/PARA-AMINOBENZOATE SYNTHASES COMPONENT I","3rrp","PROBABLE FUMARATE HYDRATASE FUM","Mycobacteroides abscessus",5,"ILE A 361;SER A 101;GLY A 100;SER A 104;THR A 103","None;LMR A 468 (-2.9A);None;None;LMR A 468 (-2.9A)","1.15A","3r75A-3rrpA:undetectable","3ijdB-5l8xA:18.47"],["3R75_B_BEZB701_0","ANTHRANILATE\/PARA-AMINOBENZOATE SYNTHASES COMPONENT I","3rrp","PROBABLE FUMARATE HYDRATASE FUM","Mycobacteroides abscessus",5,"ILE A 361;SER A 101;GLY A 100;SER A 104;THR A 103","None;LMR A 468 (-2.9A);None;None;LMR A 468 (-2.9A)","1.16A","3r75B-3rrpA:undetectable","3r75A-3rrpA:22.63"],["3SI7_A_ACTA5_0","CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR","4nf0","PROBABLE C4-DICARBOXYLATE-BINDING PROTEIN","Pseudomonas aeruginosa",3,"LYS A 151;SER A  93;GLN A 173","None;LMR A 401 (-4.0A);LMR A 401 (-3.6A)","1.38A","3si7A-4nf0A:undetectable","3r75B-3rrpA:22.63"],["3T7S_A_SAMA300_0","PUTATIVE METHYLTRANSFERASE","5l2r","FUMARATE HYDRATASE","Leishmania major",5,"GLY A 214;GLY A 137;ASP A 135;ALA A 218;ASN A 219","SF4 A 608 (-3.4A);None;LMR A 601 ( 3.6A);None;LMR A 602 (-4.5A)","0.93A","3t7sA-5l2rA:undetectable","3si7A-4nf0A:21.94"],["3T7S_B_SAMB300_0","PUTATIVE METHYLTRANSFERASE","5l2r","FUMARATE HYDRATASE","Leishmania major",5,"GLY A 214;GLY A 137;ASP A 135;ALA A 218;ASN A 219","SF4 A 608 (-3.4A);None;LMR A 601 ( 3.6A);None;LMR A 602 (-4.5A)","0.94A","3t7sB-5l2rA:undetectable","3t7sA-5l2rA:19.67"],["3T7S_D_SAMD300_0","PUTATIVE METHYLTRANSFERASE","5l2r","FUMARATE HYDRATASE","Leishmania major",5,"GLY A 214;GLY A 137;ASP A 135;ALA A 218;ASN A 219","SF4 A 608 (-3.4A);None;LMR A 601 ( 3.6A);None;LMR A 602 (-4.5A)","0.87A","3t7sD-5l2rA:undetectable","3t7sB-5l2rA:19.67"],["3V8V_B_SAMB802_0","RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE L","3rrp","PROBABLE FUMARATE HYDRATASE FUM","Mycobacteroides abscessus",5,"PHE A 240;SER A 263;SER A 137;CYH A  58;PRO A 237","None;None;LMR A 468 (-2.7A);None;None","1.39A","3v8vB-3rrpA:undetectable","3t7sD-5l2rA:19.67"],["4B9Z_A_ACRA1818_1","ALPHA-GLUCOSIDASE, PUTATIVE, ADG31B","5apa","ASPARTYL\/ASPARAGINYL BETA-HYDROXYLASE","Homo sapiens",5,"ASP A 741;GLU A 617;ARG A 686;ASP A 721;PHE A 719","None;LMR A1760 ( 4.7A);None;None;None","1.35A","4b9zA-5apaA:undetectable","3v8vB-3rrpA:21.69"],["4EB4_C_D16C402_1","THYMIDYLATE SYNTHASE","4o7m","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT","Shewanella loihica",5,"PHE A  72;ASP A  80;GLY A  79;PHE A  78;ASN A  82","None;LMR A 401 ( 4.1A);None;None;None","1.39A","4eb4C-4o7mA:undetectable","4b9zA-5apaA:13.29"],["4G0V_D_MIXD101_1","DNA TOPOISOMERASE 2-BETA","4nf0","PROBABLE C4-DICARBOXYLATE-BINDING PROTEIN","Pseudomonas aeruginosa",4,"ARG A 171;GLY A 208;GLN A 181;MET A 307","LMR A 401 (-2.9A);None;None;None","0.86A","4g0vB-4nf0A:undetectable","4eb4C-4o7mA:21.17"],["4G0V_D_MIXD101_1","DNA TOPOISOMERASE 2-BETA","4o7m","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT","Shewanella loihica",4,"ARG A 176;GLY A 213;GLN A 186;MET A 312","LMR A 401 (-2.9A);None;None;None","0.91A","4g0vB-4o7mA:undetectable","4g0vB-4nf0A:19.25"],["4HTF_A_SAMA301_0","S-ADENOSYLMETHIONINE-DEPENDENT METHYLTRANSFERASE","5l2r","FUMARATE HYDRATASE","Leishmania major",5,"GLY A 216;GLY A 215;GLY A 214;SER A 345;ALA A 250","LMR A 601 (-3.1A);LMR A 601 ( 4.3A);SF4 A 608 (-3.4A);None;LMR A 602 ( 3.8A)","0.97A","4htfA-5l2rA:undetectable","4g0vB-4o7mA:16.56"],["4HTF_B_SAMB301_0","S-ADENOSYLMETHIONINE-DEPENDENT METHYLTRANSFERASE","5l2r","FUMARATE HYDRATASE","Leishmania major",5,"GLY A 216;GLY A 215;GLY A 214;SER A 345;ALA A 250","LMR A 601 (-3.1A);LMR A 601 ( 4.3A);SF4 A 608 (-3.4A);None;LMR A 602 ( 3.8A)","0.99A","4htfB-5l2rA:undetectable","4htfA-5l2rA:20.20"],["4KR3_A_GLYA701_0","GLYCINE--TRNA LIGASE","4jn7","ENOLASE","Agrobacterium tumefaciens",4,"ARG A 382;GLU A 242;GLU A 217;SER A 243","LMR A 402 (-4.0A);LMR A 402 ( 2.6A);None;None","1.50A","4kr3A-4jn7A:undetectable","4htfB-5l2rA:20.20"],["4MF6_A_BEZA303_0","GLUTATHIONE S-TRANSFERASE DOMAIN","4o7m","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT","Shewanella loihica",4,"THR A  46;PRO A  47;PHE A 199;ASN A 153","None;None;LMR A 401 (-3.6A);None","1.20A","4mf6A-4o7mA:undetectable","4kr3A-4jn7A:20.50"],["4PFJ_B_ADNB502_2","ADENOSYLHOMOCYSTEINASE","4nf0","PROBABLE C4-DICARBOXYLATE-BINDING PROTEIN","Pseudomonas aeruginosa",4,"GLU A 210;THR A 209;GLN A 173;ASN A 148","None;None;LMR A 401 (-3.6A);None","1.11A","4pfjB-4nf0A:undetectable","4mf6A-4o7mA:27.57"],["4RDX_A_HISA502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",5,"THR A  97;GLU A 149;ARG A 306;GLY A 330;GLY A 348","LMR A 401 (-3.5A);LMR A 401 (-3.7A);None;LMR A 401 (-3.5A);LMR A 401 (-3.4A)","1.20A","4rdxA-3racA:26.4","4pfjB-4nf0A:24.33"],["4RDX_A_HISA502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",4,"THR A  97;GLU A 149;GLY A 331;GLY A 348","LMR A 401 (-3.5A);LMR A 401 (-3.7A);None;LMR A 401 (-3.4A)","0.85A","4rdxA-3racA:26.4","4rdxA-3racA:27.06"],["4RDX_A_HISA502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",5,"THR A  97;GLU A 149;TYR A 311;TYR A 333;GLY A 348","LMR A 401 (-3.5A);LMR A 401 (-3.7A);LMR A 401 (-4.5A);LMR A 401 (-4.1A);LMR A 401 (-3.4A)","1.00A","4rdxA-3racA:26.4","4rdxA-3racA:27.06"],["4ZE1_A_X2NA602_2","LANOSTEROL 14-ALPHA DEMETHYLASE","3tav","METHIONINE AMINOPEPTIDASE","Mycobacteroides abscessus",4,"VAL A 237;TYR A  69;ILE A 108;THR A 250","None;LMR A 271 ( 4.9A);None;None","1.22A","4ze1A-3tavA:undetectable","4rdxA-3racA:27.06"],["5CDN_G_EVPG2101_1","DNA GYRASE SUBUNIT A;DNA GYRASE SUBUNIT B,DNA GYRASE SUBUNIT B","4o7m","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT","Shewanella loihica",4,"SER A 236;GLU A 235;ARG A 176;GLY A 213","None;None;LMR A 401 (-2.9A);None","0.77A","5cdnA-4o7mA:undetectable;5cdnB-4o7mA:undetectable","4ze1A-3tavA:18.27"],["5E3I_A_HISA502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",6,"ARG A 125;GLN A 145;GLU A 149;TYR A 310;GLY A 348;ALA A 350","None;LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","1.46A","5e3iA-3racA:25.9","5cdnA-4o7mA:20.97;5cdnB-4o7mA:18.40"],["5E3I_A_HISA502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",6,"GLU A  95;GLN A 145;TYR A 310;TYR A 333;GLY A 330;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.7A);None;LMR A 401 (-4.1A);LMR A 401 (-3.5A);LMR A 401 ( 3.9A)","1.50A","5e3iA-3racA:25.9","5e3iA-3racA:24.01"],["5E3I_A_HISA502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",8,"GLU A  95;THR A  97;ARG A 125;GLN A 145;GLU A 149;TYR A 333;GLY A 348;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.5A);None;LMR A 401 (-3.7A);LMR A 401 (-3.7A);LMR A 401 (-4.1A);LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","0.91A","5e3iA-3racA:25.9","5e3iA-3racA:24.01"],["5E3I_A_HISA502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",10,"GLU A  95;THR A  97;GLN A 145;GLU A 149;LEU A 308;TYR A 310;TYR A 311;GLY A 330;GLY A 348;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;None;LMR A 401 (-4.5A);LMR A 401 (-3.5A);LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","0.44A","5e3iA-3racA:25.9","5e3iA-3racA:24.01"],["5E3I_A_HISA502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",10,"GLU A  95;THR A  97;GLN A 145;GLU A 149;LEU A 308;TYR A 310;TYR A 311;TYR A 333;GLY A 348;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;None;LMR A 401 (-4.5A);LMR A 401 (-4.1A);LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","0.62A","5e3iA-3racA:25.9","5e3iA-3racA:24.01"],["5E3I_A_HISA502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",6,"GLU A  95;THR A  97;GLN A 145;TYR A 310;GLY A 348;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);None;LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","1.37A","5e3iA-3racA:25.9","5e3iA-3racA:24.01"],["5E3I_A_HISA502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",7,"THR A  97;GLU A 149;LEU A 308;TYR A 310;TYR A 311;GLY A 331;GLY A 348","LMR A 401 (-3.5A);LMR A 401 (-3.7A);None;None;LMR A 401 (-4.5A);None;LMR A 401 (-3.4A)","1.14A","5e3iA-3racA:25.9","5e3iA-3racA:24.01"],["5E3I_B_HISB502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",6,"ARG A 125;GLN A 145;GLU A 149;TYR A 310;GLY A 348;ALA A 350","None;LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","1.48A","5e3iB-3racA:26.2","5e3iA-3racA:24.01"],["5E3I_B_HISB502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",6,"GLN A 145;GLU A 149;TYR A 311;TYR A 333;GLY A 348;ALA A 350","LMR A 401 (-3.7A);LMR A 401 (-3.7A);LMR A 401 (-4.5A);LMR A 401 (-4.1A);LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","1.18A","5e3iB-3racA:26.2","5e3iB-3racA:24.01"],["5E3I_B_HISB502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",8,"GLU A  95;THR A  97;ARG A 125;GLN A 145;GLU A 149;TYR A 333;GLY A 348;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.5A);None;LMR A 401 (-3.7A);LMR A 401 (-3.7A);LMR A 401 (-4.1A);LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","0.91A","5e3iB-3racA:26.2","5e3iB-3racA:24.01"],["5E3I_B_HISB502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",9,"GLU A  95;THR A  97;GLN A 145;GLU A 149;TYR A 310;TYR A 311;GLY A 330;GLY A 348;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;LMR A 401 (-4.5A);LMR A 401 (-3.5A);LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","0.44A","5e3iB-3racA:26.2","5e3iB-3racA:24.01"],["5E3I_B_HISB502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",9,"GLU A  95;THR A  97;GLN A 145;GLU A 149;TYR A 310;TYR A 311;TYR A 333;GLY A 348;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);LMR A 401 (-3.7A);None;LMR A 401 (-4.5A);LMR A 401 (-4.1A);LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","0.64A","5e3iB-3racA:26.2","5e3iB-3racA:24.01"],["5E3I_B_HISB502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",6,"GLU A  95;THR A  97;GLN A 145;TYR A 310;GLY A 348;ALA A 350","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);None;LMR A 401 (-3.4A);LMR A 401 ( 3.9A)","1.36A","5e3iB-3racA:26.2","5e3iB-3racA:24.01"],["5E3I_B_HISB502_0","HISTIDINE--TRNA LIGASE","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",7,"GLU A  95;THR A  97;GLU A 149;TYR A 310;TYR A 311;GLY A 331;GLY A 348","LMR A 401 (-3.4A);LMR A 401 (-3.5A);LMR A 401 (-3.7A);None;LMR A 401 (-4.5A);None;LMR A 401 (-3.4A)","1.16A","5e3iB-3racA:26.2","5e3iB-3racA:24.01"],["5NNW_D_GCSD302_1","25 KDA PROTEIN ELICITOR","3tav","METHIONINE AMINOPEPTIDASE","Mycobacteroides abscessus",4,"GLY A 183;HIS A 184;ASP A 115;HIS A  86","None; MG A 266 (-3.4A); MG A 269 ( 2.1A);LMR A 271 (-3.9A)","0.78A","5nnwD-3tavA:undetectable","5e3iB-3racA:24.01"],["5NO9_D_95ZD302_1","25 KDA PROTEIN ELICITOR","3tav","METHIONINE AMINOPEPTIDASE","Mycobacteroides abscessus",4,"GLY A 183;HIS A 184;ASP A 115;HIS A  86","None; MG A 266 (-3.4A); MG A 269 ( 2.1A);LMR A 271 (-3.9A)","0.77A","5no9D-3tavA:undetectable","5nnwD-3tavA:15.09"],["5O4Y_D_CCSD14_0","PHE-MAA-ASN-PRO-HIS-LEU-SER-TRP-SER-TRP-9KK-9KK-ARG-CCS-GLY-NH2;PROGRAMMED CELL DEATH 1 LIGAND 1","3rac","HISTIDINE-TRNA LIGASE","Alicyclobacillus acidocaldarius",5,"LEU A 336;ARG A 150;GLY A 348;VAL A 347;ARG A 332","None;None;LMR A 401 (-3.4A);None;None","1.32A","5o4yD-3racA:undetectable;5o4yE-3racA:undetectable","5no9D-3tavA:15.09"],["5Z0F_B_DAHB98_0","MELC;TYROSINASE","5apa","ASPARTYL\/ASPARAGINYL BETA-HYDROXYLASE","Homo sapiens",5,"HIS A 690;ILE A 739;HIS A 679;ASN A 618;ASP A 616","LMR A1760 (-3.8A);LMR A1760 (-4.0A); NI A1759 ( 3.2A); NI A1759 ( 4.7A);None","1.11A","5z0fA-5apaA:undetectable;5z0fB-5apaA:undetectable","5o4yD-3racA:4.00;5o4yE-3racA:15.65"],["5Z0G_B_DAHB98_0","MELC;TYROSINASE","5apa","ASPARTYL\/ASPARAGINYL BETA-HYDROXYLASE","Homo sapiens",5,"HIS A 690;ILE A 739;HIS A 679;ASN A 618;ASP A 616","LMR A1760 (-3.8A);LMR A1760 (-4.0A); NI A1759 ( 3.2A); NI A1759 ( 4.7A);None","1.11A","5z0gA-5apaA:undetectable;5z0gB-5apaA:undetectable","5z0fA-5apaA:16.51;5z0fB-5apaA:14.62"]]