SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4s38'

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.	1DB1_A_VDXA428_1 (VITAMIN D NUCLEAR RECEPTOR)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	LEU A 175 LEU A 178 VAL A 179 SER A 181 LEU A 250	None	1.28A	1db1A-4s38A: undetectable	1db1A-4s38A: 20.43
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.	1FDU_A_ESTA351_1 (17-BETA-HYDROXYSTERO ID DEHYDROGENASE)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	GLY A 147 GLY A 114 PRO A 113 SER A 202 VAL A 214	None	0.98A	1fduA-4s38A: 2.7	1fduA-4s38A: 23.89
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.	1GS4_A_ZK5A1918_1 (ANDROGEN RECEPTOR)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	LEU A 95 LEU A 94 ALA A 103 LEU A 106 PHE A 109	None None None KCX A 108 ( 3.9A) KCX A 108 ( 4.6A)	1.08A	1gs4A-4s38A: undetectable	1gs4A-4s38A: 20.58
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.	1I9G_A_SAMA301_0 (HYPOTHETICAL PROTEIN RV2118C)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	ILE A 281 GLY A 256 ALA A 248 LEU A 247 VAL A 200	None None None None KCX A 108 ( 4.4A)	1.03A	1i9gA-4s38A: undetectable	1i9gA-4s38A: 24.29
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.	1KQE_A_DVAA6_0 (MINI-GRAMICIDIN A)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	3 / 3	ALA A 219 VAL A 214 TRP A 213	None	0.81A	1kqeA-4s38A: undetectable 1kqeE-4s38A: undetectable	1kqeA-4s38A: 2.97 1kqeE-4s38A: 2.97
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.	1KQE_B_DVAB6_0 (MINI-GRAMICIDIN A)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	3 / 3	ALA A 219 VAL A 214 TRP A 213	None	0.80A	1kqeB-4s38A: undetectable 1kqeD-4s38A: undetectable	1kqeB-4s38A: 2.97 1kqeD-4s38A: 2.97
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.	1KQE_D_DVAD6_0 (MINI-GRAMICIDIN A)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	3 / 3	TRP A 213 ALA A 219 VAL A 214	None	0.81A	1kqeB-4s38A: undetectable 1kqeD-4s38A: undetectable	1kqeB-4s38A: 2.97 1kqeD-4s38A: 2.97
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.	1KQE_E_DVAE6_0 (MINI-GRAMICIDIN A)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	3 / 3	TRP A 213 ALA A 219 VAL A 214	None	0.80A	1kqeA-4s38A: undetectable 1kqeE-4s38A: undetectable	1kqeA-4s38A: 2.97 1kqeE-4s38A: 2.97
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.	1MJ2_A_SAMA2201_0 (PROTEIN (METHIONINE REPRESSOR))	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 9	GLU A 217 ARG A 220 ARG A 221 GLU A 180 ALA A 177	None	1.30A	1mj2A-4s38A: undetectable	1mj2A-4s38A: 13.85
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.	1YA4_B_CTXB2_2 (CES1 PROTEIN)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	4 / 4	LEU A 393 PRO A 348 ILE A 380 LEU A 381	None	0.98A	1ya4B-4s38A: undetectable	1ya4B-4s38A: 21.61
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.	1YA4_C_CTXC3_2 (CES1 PROTEIN)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	4 / 4	LEU A 393 PRO A 348 ILE A 380 LEU A 381	None	0.97A	1ya4C-4s38A: undetectable	1ya4C-4s38A: 21.61
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.	2BR4_D_SAMD301_1 (CEPHALOSPORIN HYDROXYLASE CMCI)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	3 / 3	LYS A 72 ASP A 197 ASP A 107	None	1.00A	2br4D-4s38A: undetectable	2br4D-4s38A: 17.76
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.	2BXG_A_IBPA2002_1 (SERUM ALBUMIN)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	4 / 8	ARG A 184 ALA A 152 GLU A 156 LEU A 178	None	0.75A	2bxgA-4s38A: undetectable	2bxgA-4s38A: 22.28
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.	2KOT_A_ANWA99_0 (PROTEIN S100-A13)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	4 / 7	VAL A 59 THR A 58 PHE A 88 ARG A 110	None	1.15A	2kotA-4s38A: undetectable	2kotA-4s38A: 12.81
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.	2QD3_A_CHDA501_0 (FERROCHELATASE)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 11	LEU A 251 LEU A 247 LEU A 211 ILE A 24 THR A 231	None	1.17A	2qd3A-4s38A: undetectable	2qd3A-4s38A: 20.96
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.	3ADX_B_IMNB3_1 (PEROXISOME PROLIFERATOR-ACTIVAT ED RECEPTOR GAMMA)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	LEU A 378 ALA A 369 ILE A 386 LEU A 393 VAL A 394	None	0.92A	3adxB-4s38A: undetectable	3adxB-4s38A: 21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3JAY_A_SAMA1102_0 (STRUCTURAL PROTEIN VP3)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	GLY A 114 ALA A 185 PRO A 151 ALA A 152 ILE A 111	None	0.99A	3jayA-4s38A: undetectable	3jayA-4s38A: 17.64
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.	3JB1_A_SAMA1101_0 (STRUCTURAL PROTEIN VP3)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	GLY A 114 ALA A 185 ASP A 150 PRO A 151 ALA A 152	None	0.98A	3jb1A-4s38A: undetectable	3jb1A-4s38A: 17.64
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.	3JB1_A_SAMA1101_0 (STRUCTURAL PROTEIN VP3)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	GLY A 114 ASP A 150 PRO A 151 ALA A 152 ILE A 111	None	1.09A	3jb1A-4s38A: undetectable	3jb1A-4s38A: 17.64
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.	3NXU_B_RITB600_2 (CYTOCHROME P450 3A4)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 9	LEU A 287 THR A 258 ARG A 216 LEU A 211 GLY A 254	None KCX A 108 ( 4.2A) None None None	1.32A	3nxuB-4s38A: undetectable	3nxuB-4s38A: 21.98
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.	3OND_A_ADNA506_2 (ADENOSYLHOMOCYSTEINA SE)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	3 / 3	GLN A 223 THR A 222 LEU A 194	1PE A 908 (-3.8A) None None	0.61A	3ondA-4s38A: undetectable	3ondA-4s38A: 20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3OND_B_ADNB507_2 (ADENOSYLHOMOCYSTEINA SE)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	3 / 3	GLN A 223 THR A 222 LEU A 194	1PE A 908 (-3.8A) None None	0.60A	3ondB-4s38A: undetectable	3ondB-4s38A: 20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3RV5_D_DXCD92_0 (TROPONIN C, SLOW SKELETAL AND CARDIAC MUSCLES)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	4 / 5	VAL A 59 GLU A 232 LYS A 109 PHE A 88	None None KCX A 108 ( 3.3A) None	1.40A	3rv5C-4s38A: undetectable 3rv5D-4s38A: undetectable	3rv5C-4s38A: 11.19 3rv5D-4s38A: 11.19
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.	4DV1_A_SRYA1601_1 (16S RRNA RIBOSOMAL PROTEIN S12)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	3 / 3	LYS A 382 LYS A 368 PRO A 367	None	0.99A	4dv1L-4s38A: undetectable	4dv1L-4s38A: 16.50
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.	4F4D_A_CHDA504_0 (FERROCHELATASE, MITOCHONDRIAL)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	LEU A 251 LEU A 247 LEU A 211 ILE A 24 THR A 231	None	1.24A	4f4dA-4s38A: undetectable	4f4dA-4s38A: 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.	4F4D_B_CHDB505_0 (FERROCHELATASE, MITOCHONDRIAL)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	LEU A 251 LEU A 247 LEU A 211 ILE A 24 THR A 231	None	1.10A	4f4dB-4s38A: undetectable	4f4dB-4s38A: 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.	4IAR_A_ERMA2001_1 (CHIMERA PROTEIN OF HUMAN 5-HYDROXYTRYPTAMINE RECEPTOR 1B AND E. COLI SOLUBLE CYTOCHROME B562)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	LEU A 391 VAL A 315 ALA A 354 SER A 296 PHE A 308	None	1.27A	4iarA-4s38A: undetectable	4iarA-4s38A: 21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4LVC_B_ADNB501_2 (S-ADENOSYL-L-HOMOCYS TEINE HYDROLASE (SAHASE))	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	4 / 5	GLN A 223 THR A 222 LEU A 194 LEU A 190	1PE A 908 (-3.8A) None None 1PE A 908 (-4.3A)	1.03A	4lvcB-4s38A: undetectable	4lvcB-4s38A: 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.	4MWV_A_BCZA513_1 (NEURAMINIDASE)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	3 / 3	ARG A 260 GLU A 232 ARG A 271	None	0.90A	4mwvA-4s38A: undetectable	4mwvA-4s38A: 19.15
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.	4Q15_B_HFGB803_0 (PROLINE--TRNA LIGASE)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	LEU A 323 PHE A 402 GLU A 335 PRO A 292 GLY A 357	None	1.36A	4q15B-4s38A: 3.3	4q15B-4s38A: 21.37
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.	4R21_A_STRA601_1 (CYTOCHROME P450 FAMILY 17 POLYPEPTIDE 2)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	4 / 6	ALA A 369 GLY A 357 ILE A 386 VAL A 315	None	0.78A	4r21A-4s38A: undetectable	4r21A-4s38A: 21.64
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.	4R21_B_STRB601_1 (CYTOCHROME P450 FAMILY 17 POLYPEPTIDE 2)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 9	ALA A 369 VAL A 294 GLY A 357 ILE A 386 VAL A 315	None MES A 902 (-4.2A) None None None	1.06A	4r21B-4s38A: undetectable	4r21B-4s38A: 21.64
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.	4UYM_A_VORA590_1 (14-ALPHA STEROL DEMETHYLASE)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	4 / 7	TYR A 397 PHE A 390 ALA A 339 LEU A 336	None	0.82A	4uymA-4s38A: undetectable	4uymA-4s38A: 24.05
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.	4UYM_B_VORB590_1 (14-ALPHA STEROL DEMETHYLASE)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	4 / 7	TYR A 397 PHE A 390 ALA A 339 LEU A 336	None	0.85A	4uymB-4s38A: undetectable	4uymB-4s38A: 24.05
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.	4YDQ_A_HFGA802_0 (PROLINE--TRNA LIGASE)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	LEU A 323 PHE A 402 GLU A 335 PRO A 292 GLY A 357	None	1.32A	4ydqA-4s38A: 3.1	4ydqA-4s38A: 21.83
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.	4ZN7_B_DESB600_1 (ESTROGEN RECEPTOR)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 11	LEU A 175 LEU A 154 LEU A 157 ARG A 164 LEU A 149	None	1.32A	4zn7B-4s38A: undetectable	4zn7B-4s38A: 21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5CDN_G_EVPG2101_1 (DNA GYRASE SUBUNIT A DNA GYRASE SUBUNIT B,DNA GYRASE SUBUNIT B)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	4 / 6	SER A 52 GLU A 53 ARG A 110 GLY A 86	None None None KCX A 108 ( 4.0A)	0.87A	5cdnA-4s38A: undetectable 5cdnB-4s38A: undetectable	5cdnA-4s38A: 23.06 5cdnB-4s38A: 20.53
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.	5DXE_B_ESTB1000_1 (ESTROGEN RECEPTOR)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 10	LEU A 175 LEU A 157 MET A 158 ARG A 164 LEU A 149	None	1.44A	5dxeB-4s38A: undetectable	5dxeB-4s38A: 21.63
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.	5DXG_A_ESTA1000_1 (ESTROGEN RECEPTOR)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 9	LEU A 175 LEU A 157 MET A 158 ARG A 164 LEU A 149	None	1.42A	5dxgA-4s38A: undetectable	5dxgA-4s38A: 21.63
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.	5HYR_A_ESTA601_1 (ESTROGEN RECEPTOR)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 10	LEU A 175 LEU A 157 MET A 158 ARG A 164 LEU A 149	None	1.39A	5hyrA-4s38A: undetectable	5hyrA-4s38A: 21.08
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.	5TZO_A_7V7A202_1 (ENDO-1,4-BETA-XYLANA SE A)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	VAL A 340 ALA A 354 PRO A 361 ALA A 339 GLY A 357	None	1.29A	5tzoA-4s38A: undetectable	5tzoA-4s38A: 18.80
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.	5TZO_C_7V7C201_1 (ENDO-1,4-BETA-XYLANA SE A)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	VAL A 340 ALA A 354 PRO A 361 ALA A 339 GLY A 357	None	1.25A	5tzoC-4s38A: undetectable	5tzoC-4s38A: 18.80
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.	6MN8_A_HFGA603_0 (UNCHARACTERIZED PROTEIN)	4s38	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Thermus thermophilus)	5 / 12	LEU A 323 PHE A 402 GLU A 335 PRO A 292 GLY A 357	None	1.37A	6mn8A-4s38A: 3.8	6mn8A-4s38A: 21.04

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1DB1_A_VDXA428_1","VITAMIN D NUCLEAR RECEPTOR","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 175;LEU A 178;VAL A 179;SER A 181;LEU A 250","None","1.28A","1db1A-4s38A:undetectable","1db1A-4s38A:20.43"],["1FDU_A_ESTA351_1","17-BETA-HYDROXYSTEROID DEHYDROGENASE","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"GLY A 147;GLY A 114;PRO A 113;SER A 202;VAL A 214","None","0.98A","1fduA-4s38A:2.7","1fduA-4s38A:23.89"],["1GS4_A_ZK5A1918_1","ANDROGEN RECEPTOR","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A  95;LEU A  94;ALA A 103;LEU A 106;PHE A 109","None;None;None;KCX A 108 ( 3.9A);KCX A 108 ( 4.6A)","1.08A","1gs4A-4s38A:undetectable","1gs4A-4s38A:20.58"],["1I9G_A_SAMA301_0","HYPOTHETICAL PROTEIN RV2118C","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"ILE A 281;GLY A 256;ALA A 248;LEU A 247;VAL A 200","None;None;None;None;KCX A 108 ( 4.4A)","1.03A","1i9gA-4s38A:undetectable","1i9gA-4s38A:24.29"],["1KQE_A_DVAA6_0","MINI-GRAMICIDIN A","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",3,"ALA A 219;VAL A 214;TRP A 213","None","0.81A","1kqeA-4s38A:undetectable;1kqeE-4s38A:undetectable","1kqeA-4s38A:2.97;1kqeE-4s38A:2.97"],["1KQE_B_DVAB6_0","MINI-GRAMICIDIN A","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",3,"ALA A 219;VAL A 214;TRP A 213","None","0.80A","1kqeB-4s38A:undetectable;1kqeD-4s38A:undetectable","1kqeB-4s38A:2.97;1kqeD-4s38A:2.97"],["1KQE_D_DVAD6_0","MINI-GRAMICIDIN A","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",3,"TRP A 213;ALA A 219;VAL A 214","None","0.81A","1kqeB-4s38A:undetectable;1kqeD-4s38A:undetectable","1kqeB-4s38A:2.97;1kqeD-4s38A:2.97"],["1KQE_E_DVAE6_0","MINI-GRAMICIDIN A","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",3,"TRP A 213;ALA A 219;VAL A 214","None","0.80A","1kqeA-4s38A:undetectable;1kqeE-4s38A:undetectable","1kqeA-4s38A:2.97;1kqeE-4s38A:2.97"],["1MJ2_A_SAMA2201_0","PROTEIN (METHIONINE REPRESSOR)","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"GLU A 217;ARG A 220;ARG A 221;GLU A 180;ALA A 177","None","1.30A","1mj2A-4s38A:undetectable","1mj2A-4s38A:13.85"],["1YA4_B_CTXB2_2","CES1 PROTEIN","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",4,"LEU A 393;PRO A 348;ILE A 380;LEU A 381","None","0.98A","1ya4B-4s38A:undetectable","1ya4B-4s38A:21.61"],["1YA4_C_CTXC3_2","CES1 PROTEIN","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",4,"LEU A 393;PRO A 348;ILE A 380;LEU A 381","None","0.97A","1ya4C-4s38A:undetectable","1ya4C-4s38A:21.61"],["2BR4_D_SAMD301_1","CEPHALOSPORIN HYDROXYLASE CMCI","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",3,"LYS A  72;ASP A 197;ASP A 107","None","1.00A","2br4D-4s38A:undetectable","2br4D-4s38A:17.76"],["2BXG_A_IBPA2002_1","SERUM ALBUMIN","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",4,"ARG A 184;ALA A 152;GLU A 156;LEU A 178","None","0.75A","2bxgA-4s38A:undetectable","2bxgA-4s38A:22.28"],["2KOT_A_ANWA99_0","PROTEIN S100-A13","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",4,"VAL A  59;THR A  58;PHE A  88;ARG A 110","None","1.15A","2kotA-4s38A:undetectable","2kotA-4s38A:12.81"],["2QD3_A_CHDA501_0","FERROCHELATASE","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 251;LEU A 247;LEU A 211;ILE A  24;THR A 231","None","1.17A","2qd3A-4s38A:undetectable","2qd3A-4s38A:20.96"],["3ADX_B_IMNB3_1","PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 378;ALA A 369;ILE A 386;LEU A 393;VAL A 394","None","0.92A","3adxB-4s38A:undetectable","3adxB-4s38A:21.53"],["3JAY_A_SAMA1102_0","STRUCTURAL PROTEIN VP3","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"GLY A 114;ALA A 185;PRO A 151;ALA A 152;ILE A 111","None","0.99A","3jayA-4s38A:undetectable","3jayA-4s38A:17.64"],["3JB1_A_SAMA1101_0","STRUCTURAL PROTEIN VP3","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"GLY A 114;ALA A 185;ASP A 150;PRO A 151;ALA A 152","None","0.98A","3jb1A-4s38A:undetectable","3jb1A-4s38A:17.64"],["3JB1_A_SAMA1101_0","STRUCTURAL PROTEIN VP3","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"GLY A 114;ASP A 150;PRO A 151;ALA A 152;ILE A 111","None","1.09A","3jb1A-4s38A:undetectable","3jb1A-4s38A:17.64"],["3NXU_B_RITB600_2","CYTOCHROME P450 3A4","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 287;THR A 258;ARG A 216;LEU A 211;GLY A 254","None;KCX A 108 ( 4.2A);None;None;None","1.32A","3nxuB-4s38A:undetectable","3nxuB-4s38A:21.98"],["3OND_A_ADNA506_2","ADENOSYLHOMOCYSTEINASE","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",3,"GLN A 223;THR A 222;LEU A 194","1PE A 908 (-3.8A);None;None","0.61A","3ondA-4s38A:undetectable","3ondA-4s38A:20.16"],["3OND_B_ADNB507_2","ADENOSYLHOMOCYSTEINASE","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",3,"GLN A 223;THR A 222;LEU A 194","1PE A 908 (-3.8A);None;None","0.60A","3ondB-4s38A:undetectable","3ondB-4s38A:20.16"],["3RV5_D_DXCD92_0","TROPONIN C, SLOW SKELETAL AND CARDIAC MUSCLES","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",4,"VAL A  59;GLU A 232;LYS A 109;PHE A  88","None;None;KCX A 108 ( 3.3A);None","1.40A","3rv5C-4s38A:undetectable;3rv5D-4s38A:undetectable","3rv5C-4s38A:11.19;3rv5D-4s38A:11.19"],["4DV1_A_SRYA1601_1","16S RRNA;RIBOSOMAL PROTEIN S12","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",3,"LYS A 382;LYS A 368;PRO A 367","None","0.99A","4dv1L-4s38A:undetectable","4dv1L-4s38A:16.50"],["4F4D_A_CHDA504_0","FERROCHELATASE, MITOCHONDRIAL","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 251;LEU A 247;LEU A 211;ILE A  24;THR A 231","None","1.24A","4f4dA-4s38A:undetectable","4f4dA-4s38A:21.20"],["4F4D_B_CHDB505_0","FERROCHELATASE, MITOCHONDRIAL","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 251;LEU A 247;LEU A 211;ILE A  24;THR A 231","None","1.10A","4f4dB-4s38A:undetectable","4f4dB-4s38A:21.20"],["4IAR_A_ERMA2001_1","CHIMERA PROTEIN OF HUMAN 5-HYDROXYTRYPTAMINE RECEPTOR 1B AND E. COLI SOLUBLE CYTOCHROME B562","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 391;VAL A 315;ALA A 354;SER A 296;PHE A 308","None","1.27A","4iarA-4s38A:undetectable","4iarA-4s38A:21.60"],["4LVC_B_ADNB501_2","S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE (SAHASE)","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",4,"GLN A 223;THR A 222;LEU A 194;LEU A 190","1PE A 908 (-3.8A);None;None;1PE A 908 (-4.3A)","1.03A","4lvcB-4s38A:undetectable","4lvcB-4s38A:24.15"],["4MWV_A_BCZA513_1","NEURAMINIDASE","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",3,"ARG A 260;GLU A 232;ARG A 271","None","0.90A","4mwvA-4s38A:undetectable","4mwvA-4s38A:19.15"],["4Q15_B_HFGB803_0","PROLINE--TRNA LIGASE","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 323;PHE A 402;GLU A 335;PRO A 292;GLY A 357","None","1.36A","4q15B-4s38A:3.3","4q15B-4s38A:21.37"],["4R21_A_STRA601_1","CYTOCHROME P450 FAMILY 17 POLYPEPTIDE 2","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",4,"ALA A 369;GLY A 357;ILE A 386;VAL A 315","None","0.78A","4r21A-4s38A:undetectable","4r21A-4s38A:21.64"],["4R21_B_STRB601_1","CYTOCHROME P450 FAMILY 17 POLYPEPTIDE 2","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"ALA A 369;VAL A 294;GLY A 357;ILE A 386;VAL A 315","None;MES A 902 (-4.2A);None;None;None","1.06A","4r21B-4s38A:undetectable","4r21B-4s38A:21.64"],["4UYM_A_VORA590_1","14-ALPHA STEROL DEMETHYLASE","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",4,"TYR A 397;PHE A 390;ALA A 339;LEU A 336","None","0.82A","4uymA-4s38A:undetectable","4uymA-4s38A:24.05"],["4UYM_B_VORB590_1","14-ALPHA STEROL DEMETHYLASE","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",4,"TYR A 397;PHE A 390;ALA A 339;LEU A 336","None","0.85A","4uymB-4s38A:undetectable","4uymB-4s38A:24.05"],["4YDQ_A_HFGA802_0","PROLINE--TRNA LIGASE","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 323;PHE A 402;GLU A 335;PRO A 292;GLY A 357","None","1.32A","4ydqA-4s38A:3.1","4ydqA-4s38A:21.83"],["4ZN7_B_DESB600_1","ESTROGEN RECEPTOR","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 175;LEU A 154;LEU A 157;ARG A 164;LEU A 149","None","1.32A","4zn7B-4s38A:undetectable","4zn7B-4s38A:21.03"],["5CDN_G_EVPG2101_1","DNA GYRASE SUBUNIT A;DNA GYRASE SUBUNIT B,DNA GYRASE SUBUNIT B","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",4,"SER A  52;GLU A  53;ARG A 110;GLY A  86","None;None;None;KCX A 108 ( 4.0A)","0.87A","5cdnA-4s38A:undetectable;5cdnB-4s38A:undetectable","5cdnA-4s38A:23.06;5cdnB-4s38A:20.53"],["5DXE_B_ESTB1000_1","ESTROGEN RECEPTOR","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 175;LEU A 157;MET A 158;ARG A 164;LEU A 149","None","1.44A","5dxeB-4s38A:undetectable","5dxeB-4s38A:21.63"],["5DXG_A_ESTA1000_1","ESTROGEN RECEPTOR","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 175;LEU A 157;MET A 158;ARG A 164;LEU A 149","None","1.42A","5dxgA-4s38A:undetectable","5dxgA-4s38A:21.63"],["5HYR_A_ESTA601_1","ESTROGEN RECEPTOR","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 175;LEU A 157;MET A 158;ARG A 164;LEU A 149","None","1.39A","5hyrA-4s38A:undetectable","5hyrA-4s38A:21.08"],["5TZO_A_7V7A202_1","ENDO-1,4-BETA-XYLANASE A","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"VAL A 340;ALA A 354;PRO A 361;ALA A 339;GLY A 357","None","1.29A","5tzoA-4s38A:undetectable","5tzoA-4s38A:18.80"],["5TZO_C_7V7C201_1","ENDO-1,4-BETA-XYLANASE A","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"VAL A 340;ALA A 354;PRO A 361;ALA A 339;GLY A 357","None","1.25A","5tzoC-4s38A:undetectable","5tzoC-4s38A:18.80"],["6MN8_A_HFGA603_0","UNCHARACTERIZED PROTEIN","4s38","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","Thermus thermophilus",5,"LEU A 323;PHE A 402;GLU A 335;PRO A 292;GLY A 357","None","1.37A","6mn8A-4s38A:3.8","6mn8A-4s38A:21.04"]]