SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1w85'

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.	1C9S_Q_TRPQ81_0 (TRP RNA-BINDING ATTENUATION PROTEIN)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	5 / 9	GLY A 230 ALA A 247 THR A 259 ILE A 231 GLY A 257	None	1.21A	1c9sQ-1w85A: undetectable 1c9sR-1w85A: undetectable	1c9sQ-1w85A: 12.69 1c9sR-1w85A: 12.69
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.	1C9S_V_TRPV81_0 (TRP RNA-BINDING ATTENUATION PROTEIN)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	5 / 10	GLY A 257 GLY A 230 ALA A 247 THR A 259 ILE A 231	None	1.19A	1c9sL-1w85A: undetectable 1c9sV-1w85A: undetectable	1c9sL-1w85A: 12.69 1c9sV-1w85A: 12.69
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.	1EQG_B_IBPB1701_1 (PROSTAGLANDIN H2 SYNTHASE-1)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 11	VAL B 288 SER B 249 ILE B 247 ALA B 280 LEU B 284	None	1.16A	1eqgB-1w85B: undetectable	1eqgB-1w85B: 18.28
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.	1FE2_A_LAXA700_2 (PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE-1)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 12	PHE A 197 LEU B 69 PHE B 26 GLY B 64 LEU A 99	None	1.10A	1fe2A-1w85A: 0.0	1fe2A-1w85A: 19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1FM9_A_9CRA201_1 (RETINOIC ACID RECEPTOR RXR-ALPHA)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	6 / 12	ILE A 196 ALA A 195 ALA A 167 LEU A 99 ALA A 152 LEU A 92	None	1.46A	1fm9A-1w85A: undetectable	1fm9A-1w85A: 21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1GFZ_A_CFFA940_1 (GLYCOGEN PHOSPHORYLASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	4 / 6	ASN A 202 PHE A 266 GLY A 269 TYR A 268	MG A1368 ( 2.9A) None None None	0.96A	1gfzA-1w85A: undetectable	1gfzA-1w85A: 19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1GTF_E_TRPE81_0 (TRP RNA-BINDING ATTENUATION PROTEIN (TRAP))	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	5 / 9	GLY A 257 GLY A 230 ALA A 247 THR A 259 ILE A 231	None	1.18A	1gtfD-1w85A: undetectable 1gtfE-1w85A: undetectable	1gtfD-1w85A: 12.69 1gtfE-1w85A: 12.69
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.	1HPK_A_ACAA80_1 (PLASMINOGEN)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	4 / 6	PRO B 240 ASP B 163 ASN B 164 ASP B 165	None	1.43A	1hpkA-1w85B: undetectable	1hpkA-1w85B: 11.89
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.	1HSH_A_MK1A401_1 (HIV-II PROTEASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 12	ILE B 168 VAL B 136 PRO B 166 ILE B 112 ILE B 114	None	0.88A	1hshA-1w85B: undetectable	1hshA-1w85B: 14.20
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.	1MJQ_G_SAMG199_0 (METHIONINE REPRESSOR)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us; Geobacillus stearothermophil us)	5 / 10	GLU A 183 ALA A 188 PRO B 56 ALA A 152 GLY B 68	None	1.15A	1mjqG-1w85A: undetectable 1mjqH-1w85A: undetectable	1mjqG-1w85A: 12.81 1mjqH-1w85A: 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.	1MX1_E_THAE5_2 (LIVER CARBOXYLESTERASE I)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	3 / 3	PHE A 191 LEU B 65 LEU B 69	PEG A1369 (-4.8A) None None	0.68A	1mx1E-1w85A: undetectable	1mx1E-1w85A: 22.50
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.	1OG5_B_SWFB502_1 (CYTOCHROME P450 2C9)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 12	ILE B 80 PHE B 82 PRO B 117 LEU B 173 PHE B 37	None	1.22A	1og5B-1w85B: undetectable	1og5B-1w85B: 22.83
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.	1QZZ_A_ACTA421_0 (ACLACINOMYCIN-10-HYD ROXYLASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	4 / 8	GLY B 68 GLY B 64 GLY B 63 LEU B 65	None	0.64A	1qzzA-1w85B: 2.0	1qzzA-1w85B: 22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2IDW_B_017B401_1 (PROTEASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 11	LEU B 217 ALA B 208 VAL B 314 ILE B 257 ALA B 220	None	1.15A	2idwA-1w85B: undetectable	2idwA-1w85B: 14.81
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.	2QEU_A_ACTA142_0 (PUTATIVE CARBOXYMUCONOLACTONE DECARBOXYLASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	4 / 5	GLU B 79 PRO B 78 ILE B 62 GLY B 27	None	1.11A	2qeuA-1w85B: undetectable 2qeuC-1w85B: undetectable	2qeuA-1w85B: 19.57 2qeuC-1w85B: 19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2QR2_B_VK3B235_1 (PROTEIN (QUINONE REDUCTASE TYPE 2))	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	4 / 6	PHE B 53 PHE A 191 GLY B 63 GLY B 61	PEG A1369 ( 4.2A) PEG A1369 (-4.8A) None None	1.00A	2qr2A-1w85B: 5.1 2qr2B-1w85B: 5.0	2qr2A-1w85B: 20.18 2qr2B-1w85B: 20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2QR2_B_VK3B236_1 (PROTEIN (QUINONE REDUCTASE TYPE 2))	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	4 / 5	GLY B 63 GLY B 61 PHE B 53 PHE A 191	None None PEG A1369 ( 4.2A) PEG A1369 (-4.8A)	0.98A	2qr2A-1w85B: 5.0 2qr2B-1w85B: 5.0	2qr2A-1w85B: 20.18 2qr2B-1w85B: 20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2ZUL_A_SAMA376_0 (PROBABLE RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 12	PHE B 118 GLY B 120 ALA B 211 PRO B 117 PHE B 37	None	1.10A	2zulA-1w85B: undetectable	2zulA-1w85B: 22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3ASO_C_CHDC525_0 (CYTOCHROME C OXIDASE SUBUNIT 1 CYTOCHROME C OXIDASE SUBUNIT 3)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	4 / 8	THR A 341 TYR A 362 HIS A 125 LEU A 355	None	1.22A	3asoA-1w85A: undetectable 3asoC-1w85A: undetectable 3asoP-1w85A: undetectable	3asoA-1w85A: 21.70 3asoC-1w85A: 20.72 3asoP-1w85A: 20.72
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.	3BCR_A_AZZA940_1 (GLYCOGEN PHOSPHORYLASE, MUSCLE FORM)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	4 / 5	ASN A 202 PHE A 266 GLY A 269 TYR A 268	MG A1368 ( 2.9A) None None None	1.02A	3bcrA-1w85A: undetectable	3bcrA-1w85A: 19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3DEU_A_SALA305_1 (TRANSCRIPTIONAL REGULATOR SLYA)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 7	THR B 317 VAL B 321 ILE B 204 ILE B 206 SER B 216	None	1.20A	3deuA-1w85B: undetectable	3deuA-1w85B: 18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3DZY_D_BRLD478_2 (PEROXISOME PROLIFERATOR-ACTIVAT ED RECEPTOR GAMMA)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	4 / 4	ILE B 93 GLN A 150 ILE B 80 LEU B 71	None	1.17A	3dzyD-1w85B: 0.0	3dzyD-1w85B: 22.65
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.	3EM0_B_CHDB153_0 (ILEAL BILE ACID-BINDING PROTEIN)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us; Geobacillus stearothermophil us)	4 / 7	PHE B 53 PHE A 191 LYS A 192 GLY A 255	PEG A1369 ( 4.2A) PEG A1369 (-4.8A) None None	0.81A	3em0B-1w85B: undetectable	3em0B-1w85B: 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.	3FPJ_B_SAMB301_0 (PUTATIVE UNCHARACTERIZED PROTEIN)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 12	ILE B 146 ILE B 168 ILE B 80 LEU B 132 VAL B 238	None	1.09A	3fpjB-1w85B: 2.8	3fpjB-1w85B: 24.48
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.	3KW2_A_ADNA300_1 (PROBABLE R-RNA METHYLTRANSFERASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 11	ALA B 318 VAL B 314 ILE B 204 LEU B 223 ALA B 230	None	1.05A	3kw2A-1w85B: 3.1	3kw2A-1w85B: 23.72
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.	3L4D_A_TPFA490_1 (STEROL 14-ALPHA DEMETHYLASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	4 / 8	TYR A 170 ALA A 151 ALA A 167 LEU A 92	None	0.91A	3l4dA-1w85A: undetectable	3l4dA-1w85A: 19.06
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.	3OWX_B_XRAB233_1 (RIBOSYLDIHYDRONICOTI NAMIDE DEHYDROGENASE [QUINONE])	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 11	VAL B 77 PHE B 53 PHE A 191 GLY B 63 GLY B 61	None PEG A1369 ( 4.2A) PEG A1369 (-4.8A) None None	1.16A	3owxA-1w85B: 5.0 3owxB-1w85B: 5.0	3owxA-1w85B: 20.73 3owxB-1w85B: 20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3OXW_B_017B200_2 (HIV-1 PROTEASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 10	LEU B 157 VAL B 6 GLY B 35 VAL B 30 ILE B 9	None	1.03A	3oxwB-1w85B: undetectable	3oxwB-1w85B: 15.60
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.	3Q70_A_RITA2001_2 (CANDIDAPEPSIN-2)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	4 / 6	THR A 78 SER A 88 ILE A 168 TYR A 170	None	0.87A	3q70A-1w85A: undetectable	3q70A-1w85A: 23.45
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.	3SFE_C_TMGC1_1 (SUCCINATE DEHYDROGENASE [UBIQUINONE] IRON-SULFUR SUBUNIT, MITOCHONDRIAL SUCCINATE DEHYDROGENASE CYTOCHROME B560 SUBUNIT, MITOCHONDRIAL)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	4 / 8	PRO A 100 HIS A 111 ILE A 108 ILE A 131	None	1.12A	3sfeB-1w85A: undetectable 3sfeC-1w85A: undetectable	3sfeB-1w85A: 20.42 3sfeC-1w85A: 16.76
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.	3W9T_B_W9TB504_1 (HEMOLYTIC LECTIN CEL-III)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	4 / 5	ASP B 130 GLU B 126 TYR B 298 GLN B 263	None	1.36A	3w9tB-1w85B: 0.0	3w9tB-1w85B: 20.62
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.	4AZT_A_SAMA1472_1 (METHYLTRANSFERASE WBDD)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us; Geobacillus stearothermophil us)	3 / 3	GLN A 178 ASP B 91 GLN B 96	TDP A1370 (-3.9A) None None	0.87A	4aztA-1w85A: 3.4	4aztA-1w85A: 21.93
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.	4BLV_A_SAMA1281_0 (RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE J)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us; Geobacillus stearothermophil us)	5 / 12	LEU B 65 GLY A 189 GLY A 227 LEU A 156 PRO B 56	None	1.07A	4blvA-1w85B: 2.8	4blvA-1w85B: 22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4BQF_A_QPSA951_1 (ALPHA-GLUCAN PHOSPHORYLASE 2, CYTOSOLIC)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	4 / 6	GLY B 35 ARG B 177 GLU B 171 ARG B 115	None	1.47A	4bqfA-1w85B: undetectable	4bqfA-1w85B: 17.37
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.	4FGK_A_0TXA304_0 (RIBOSYLDIHYDRONICOTI NAMIDE DEHYDROGENASE [QUINONE])	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us; Geobacillus stearothermophil us)	5 / 10	GLY B 63 GLY B 61 VAL B 77 PHE B 53 PHE A 191	None None None PEG A1369 ( 4.2A) PEG A1369 (-4.8A)	1.15A	4fgkA-1w85B: 2.2 4fgkB-1w85B: 4.9	4fgkA-1w85B: 20.77 4fgkB-1w85B: 20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4IOM_A_FOLA608_0 (FORMATE--TETRAHYDROF OLATE LIGASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	4 / 7	PRO B 78 GLU B 171 LEU B 157 LEU B 13	None	1.07A	4iomA-1w85B: 2.4	4iomA-1w85B: 23.56
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.	4KIC_A_SAMA401_0 (METHYLTRANSFERASE MPPJ)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	5 / 12	GLY A 257 ILE A 196 ALA A 248 ALA A 167 PHE A 191	None None None None PEG A1369 (-4.8A)	1.05A	4kicA-1w85A: 2.1	4kicA-1w85A: 21.16
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.	4MJ8_A_SPMA201_1 (SPERMIDINE N1-ACETYLTRANSFERASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	4 / 8	MET A 50 GLU A 314 GLU A 313 GLU A 304	None	1.18A	4mj8A-1w85A: undetectable 4mj8C-1w85A: undetectable	4mj8A-1w85A: 16.98 4mj8C-1w85A: 16.98
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.	4MJ8_B_SPMB201_1 (SPERMIDINE N1-ACETYLTRANSFERASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	4 / 8	MET A 50 GLU A 314 GLU A 313 GLU A 304	None	1.16A	4mj8B-1w85A: undetectable 4mj8C-1w85A: undetectable	4mj8B-1w85A: 16.98 4mj8C-1w85A: 16.98
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.	4ODO_B_FK5B203_2 (PEPTIDYL-PROLYL CIS-TRANS ISOMERASE SLYD)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	3 / 3	ALA A 188 GLN A 147 GLY A 101	None	0.53A	4odoC-1w85A: undetectable	4odoC-1w85A: 19.02
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.	4PEV_B_ADNB501_2 (MEMBRANE LIPOPROTEIN FAMILY PROTEIN)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	3 / 3	PRO A 139 LEU A 138 GLN B 96	None	0.73A	4pevB-1w85A: 2.5	4pevB-1w85A: 23.21
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.	4R38_A_RBFA201_2 (BLUE-LIGHT-ACTIVATED HISTIDINE KINASE 2)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	4 / 8	ILE B 192 VAL B 136 LEU B 142 ILE B 93	None	0.78A	4r38A-1w85B: undetectable	4r38A-1w85B: 23.00
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.	4R38_D_RBFD201_2 (BLUE-LIGHT-ACTIVATED HISTIDINE KINASE 2)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	4 / 8	ILE B 192 VAL B 136 LEU B 142 ILE B 93	None	0.74A	4r38D-1w85B: 0.8	4r38D-1w85B: 23.00
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.	4URO_A_NOVA2000_1 (DNA GYRASE SUBUNIT B)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 12	GLU A 183 ILE B 62 ASP B 29 GLN B 81 ILE B 80	None	1.16A	4uroA-1w85A: undetectable	4uroA-1w85A: 22.62
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.	4URO_B_NOVB2000_1 (DNA GYRASE SUBUNIT B)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 12	GLU A 183 ILE B 62 ASP B 29 GLN B 81 ILE B 80	None	1.16A	4uroB-1w85A: undetectable	4uroB-1w85A: 22.62
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.	4URO_C_NOVC2000_1 (DNA GYRASE SUBUNIT B)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 12	GLU A 183 ILE B 62 ASP B 29 GLN B 81 ILE B 80	None	1.11A	4uroC-1w85A: undetectable	4uroC-1w85A: 22.62
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.	4WQ4_A_ACTA403_0 (TRNA N6-ADENOSINE THREONYLCARBAMOYLTRA NSFERASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	3 / 3	VAL B 213 LEU B 217 VAL B 232	None	0.46A	4wq4A-1w85B: undetectable	4wq4A-1w85B: 20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4XDT_A_ACTA406_0 (FAD:PROTEIN FMN TRANSFERASE)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	4 / 5	SER A 63 ARG A 62 LEU A 59 ASP A 60	None	1.47A	4xdtA-1w85A: 0.0	4xdtA-1w85A: 22.56
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.	4ZVM_B_DM2B303_1 (RIBOSYLDIHYDRONICOTI NAMIDE DEHYDROGENASE [QUINONE])	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 11	VAL B 77 PHE B 53 PHE A 191 GLY B 63 GLY B 61	None PEG A1369 ( 4.2A) PEG A1369 (-4.8A) None None	1.15A	4zvmA-1w85B: 5.0 4zvmB-1w85B: 5.5	4zvmA-1w85B: 20.18 4zvmB-1w85B: 20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ZZB_E_ACTE403_0 (PROTON-GATED ION CHANNEL)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	3 / 3	ARG B 115 TYR B 176 GLU B 171	None	0.67A	4zzbE-1w85B: undetectable	4zzbE-1w85B: 22.48
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.	5C6P_A_4YHA601_1 (PROTEIN C)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	4 / 6	ALA A 87 SER A 88 GLN A 81 PRO A 295	None	0.79A	5c6pA-1w85A: undetectable	5c6pA-1w85A: 21.35
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.	5JCN_B_ASCB502_0 (OS09G0567300 PROTEIN)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	4 / 6	GLU A 82 GLY A 80 ARG A 57 ARG A 298	None	1.43A	5jcnB-1w85A: undetectable	5jcnB-1w85A: 23.78
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.	5JNC_D_ACTD305_0 (CARBONIC ANHYDRASE 4)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	5 / 5	PRO A 39 ALA A 37 ALA A 243 ILE A 25 LEU A 26	None	1.24A	5jncD-1w85A: undetectable	5jncD-1w85A: 20.60
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.	5NNA_A_BZMA301_0 (ISATIN HYDROLASE A)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 12	ILE B 25 LEU B 13 VAL B 52 GLY B 31 GLY B 42	None	1.21A	5nnaA-1w85B: undetectable	5nnaA-1w85B: 21.76
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.	5NNA_B_BZMB301_0 (ISATIN HYDROLASE A)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 12	ILE B 25 LEU B 13 VAL B 52 GLY B 31 GLY B 42	None	1.23A	5nnaB-1w85B: undetectable	5nnaB-1w85B: 21.76
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.	5NNA_D_BZMD301_0 (ISATIN HYDROLASE A)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 12	ILE B 25 LEU B 13 VAL B 52 GLY B 31 GLY B 42	None	1.22A	5nnaD-1w85B: undetectable	5nnaD-1w85B: 21.76
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.	5OG9_A_TESA503_1 (-)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 9	LEU B 142 ILE B 80 LEU B 170 PRO B 76 ALA B 66	None	1.20A	5og9A-1w85B: undetectable	5og9A-1w85B: 21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5UUN_A_ACTA312_0 (GLUTATHIONE S-TRANSFERASE-LIKE PROTEIN)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	3 / 3	ILE B 192 VAL B 145 PRO B 147	None	0.60A	5uunA-1w85B: undetectable	5uunA-1w85B: 21.28
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.	5VKQ_C_PCFC1805_0 (NO MECHANORECEPTOR POTENTIAL C ISOFORM L)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	5 / 9	GLY A 269 LEU A 72 GLY A 80 PHE A 119 ILE A 325	None	0.87A	5vkqC-1w85A: undetectable 5vkqD-1w85A: undetectable	5vkqC-1w85A: 12.40 5vkqD-1w85A: 12.40
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.	6AWO_A_SREA701_1 (SODIUM-DEPENDENT SEROTONIN TRANSPORTER)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 9	ALA A 152 PHE A 181 GLY A 145 SER B 60 GLY B 64	None None None MG B1326 ( 4.7A) None	1.08A	6awoA-1w85A: undetectable	6awoA-1w85A: 21.65
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.	6AWQ_A_SREA701_1 (SODIUM-DEPENDENT SEROTONIN TRANSPORTER)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 9	ALA A 152 PHE A 181 GLY A 145 SER B 60 GLY B 64	None None None MG B1326 ( 4.7A) None	1.09A	6awqA-1w85A: undetectable	6awqA-1w85A: 21.65
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.	6BQG_A_ERMA1201_2 (5-HYDROXYTRYPTAMINE RECEPTOR 2C,SOLUBLE CYTOCHROME B562)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT (Geobacillus stearothermophil us)	4 / 5	VAL A 241 THR A 263 LEU A 49 LEU A 296	None	1.01A	6bqgA-1w85A: undetectable	6bqgA-1w85A: 12.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6CE2_B_SVRB202_2 (-)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	6 / 12	LEU A 99 LEU A 138 GLY A 153 GLY B 68 GLY B 73 TYR B 108	None	1.40A	6ce2B-1w85A: undetectable	6ce2B-1w85A: 14.72
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.	6FGC_A_D95A816_0 (GEPHYRIN)	1w85	PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT (Geobacillus stearothermophil us)	5 / 11	ASP B 130 PHE B 83 LEU B 170 LEU B 135 MET B 90	None	1.44A	6fgcA-1w85B: 3.6	6fgcA-1w85B: 17.22

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1C9S_Q_TRPQ81_0","TRP RNA-BINDING ATTENUATION PROTEIN","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",5,"GLY A 230;ALA A 247;THR A 259;ILE A 231;GLY A 257","None","1.21A","1c9sQ-1w85A:undetectable;1c9sR-1w85A:undetectable","1c9sQ-1w85A:12.69;1c9sR-1w85A:12.69"],["1C9S_V_TRPV81_0","TRP RNA-BINDING ATTENUATION PROTEIN","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",5,"GLY A 257;GLY A 230;ALA A 247;THR A 259;ILE A 231","None","1.19A","1c9sL-1w85A:undetectable;1c9sV-1w85A:undetectable","1c9sL-1w85A:12.69;1c9sV-1w85A:12.69"],["1EQG_B_IBPB1701_1","PROSTAGLANDIN H2 SYNTHASE-1","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"VAL B 288;SER B 249;ILE B 247;ALA B 280;LEU B 284","None","1.16A","1eqgB-1w85B:undetectable","1eqgB-1w85B:18.28"],["1FE2_A_LAXA700_2","PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE-1","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"PHE A 197;LEU B  69;PHE B  26;GLY B  64;LEU A  99","None","1.10A","1fe2A-1w85A:0.0","1fe2A-1w85A:19.86"],["1FM9_A_9CRA201_1","RETINOIC ACID RECEPTOR RXR-ALPHA","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",6,"ILE A 196;ALA A 195;ALA A 167;LEU A  99;ALA A 152;LEU A  92","None","1.46A","1fm9A-1w85A:undetectable","1fm9A-1w85A:21.18"],["1GFZ_A_CFFA940_1","GLYCOGEN PHOSPHORYLASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",4,"ASN A 202;PHE A 266;GLY A 269;TYR A 268"," MG A1368 ( 2.9A);None;None;None","0.96A","1gfzA-1w85A:undetectable","1gfzA-1w85A:19.32"],["1GTF_E_TRPE81_0","TRP RNA-BINDING ATTENUATION PROTEIN (TRAP)","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",5,"GLY A 257;GLY A 230;ALA A 247;THR A 259;ILE A 231","None","1.18A","1gtfD-1w85A:undetectable;1gtfE-1w85A:undetectable","1gtfD-1w85A:12.69;1gtfE-1w85A:12.69"],["1HPK_A_ACAA80_1","PLASMINOGEN","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",4,"PRO B 240;ASP B 163;ASN B 164;ASP B 165","None","1.43A","1hpkA-1w85B:undetectable","1hpkA-1w85B:11.89"],["1HSH_A_MK1A401_1","HIV-II PROTEASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"ILE B 168;VAL B 136;PRO B 166;ILE B 112;ILE B 114","None","0.88A","1hshA-1w85B:undetectable","1hshA-1w85B:14.20"],["1MJQ_G_SAMG199_0","METHIONINE REPRESSOR","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus;Geobacillus stearothermophilus",5,"GLU A 183;ALA A 188;PRO B  56;ALA A 152;GLY B  68","None","1.15A","1mjqG-1w85A:undetectable;1mjqH-1w85A:undetectable","1mjqG-1w85A:12.81;1mjqH-1w85A:12.81"],["1MX1_E_THAE5_2","LIVER CARBOXYLESTERASE I","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",3,"PHE A 191;LEU B  65;LEU B  69","PEG A1369 (-4.8A);None;None","0.68A","1mx1E-1w85A:undetectable","1mx1E-1w85A:22.50"],["1OG5_B_SWFB502_1","CYTOCHROME P450 2C9","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"ILE B  80;PHE B  82;PRO B 117;LEU B 173;PHE B  37","None","1.22A","1og5B-1w85B:undetectable","1og5B-1w85B:22.83"],["1QZZ_A_ACTA421_0","ACLACINOMYCIN-10-HYDROXYLASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",4,"GLY B  68;GLY B  64;GLY B  63;LEU B  65","None","0.64A","1qzzA-1w85B:2.0","1qzzA-1w85B:22.90"],["2IDW_B_017B401_1","PROTEASE;PROTEASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"LEU B 217;ALA B 208;VAL B 314;ILE B 257;ALA B 220","None","1.15A","2idwA-1w85B:undetectable","2idwA-1w85B:14.81"],["2QEU_A_ACTA142_0","PUTATIVE CARBOXYMUCONOLACTONE DECARBOXYLASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",4,"GLU B  79;PRO B  78;ILE B  62;GLY B  27","None","1.11A","2qeuA-1w85B:undetectable;2qeuC-1w85B:undetectable","2qeuA-1w85B:19.57;2qeuC-1w85B:19.57"],["2QR2_B_VK3B235_1","PROTEIN (QUINONE REDUCTASE TYPE 2);PROTEIN (QUINONE REDUCTASE TYPE 2)","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",4,"PHE B  53;PHE A 191;GLY B  63;GLY B  61","PEG A1369 ( 4.2A);PEG A1369 (-4.8A);None;None","1.00A","2qr2A-1w85B:5.1;2qr2B-1w85B:5.0","2qr2A-1w85B:20.18;2qr2B-1w85B:20.18"],["2QR2_B_VK3B236_1","PROTEIN (QUINONE REDUCTASE TYPE 2);PROTEIN (QUINONE REDUCTASE TYPE 2)","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",4,"GLY B  63;GLY B  61;PHE B  53;PHE A 191","None;None;PEG A1369 ( 4.2A);PEG A1369 (-4.8A)","0.98A","2qr2A-1w85B:5.0;2qr2B-1w85B:5.0","2qr2A-1w85B:20.18;2qr2B-1w85B:20.18"],["2ZUL_A_SAMA376_0","PROBABLE RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"PHE B 118;GLY B 120;ALA B 211;PRO B 117;PHE B  37","None","1.10A","2zulA-1w85B:undetectable","2zulA-1w85B:22.94"],["3ASO_C_CHDC525_0","CYTOCHROME C OXIDASE SUBUNIT 1;CYTOCHROME C OXIDASE SUBUNIT 3","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",4,"THR A 341;TYR A 362;HIS A 125;LEU A 355","None","1.22A","3asoA-1w85A:undetectable;3asoC-1w85A:undetectable;3asoP-1w85A:undetectable","3asoA-1w85A:21.70;3asoC-1w85A:20.72;3asoP-1w85A:20.72"],["3BCR_A_AZZA940_1","GLYCOGEN PHOSPHORYLASE, MUSCLE FORM","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",4,"ASN A 202;PHE A 266;GLY A 269;TYR A 268"," MG A1368 ( 2.9A);None;None;None","1.02A","3bcrA-1w85A:undetectable","3bcrA-1w85A:19.32"],["3DEU_A_SALA305_1","TRANSCRIPTIONAL REGULATOR SLYA","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"THR B 317;VAL B 321;ILE B 204;ILE B 206;SER B 216","None","1.20A","3deuA-1w85B:undetectable","3deuA-1w85B:18.52"],["3DZY_D_BRLD478_2","PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",4,"ILE B  93;GLN A 150;ILE B  80;LEU B  71","None","1.17A","3dzyD-1w85B:0.0","3dzyD-1w85B:22.65"],["3EM0_B_CHDB153_0","ILEAL BILE ACID-BINDING PROTEIN","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus;Geobacillus stearothermophilus",4,"PHE B  53;PHE A 191;LYS A 192;GLY A 255","PEG A1369 ( 4.2A);PEG A1369 (-4.8A);None;None","0.81A","3em0B-1w85B:undetectable","3em0B-1w85B:19.25"],["3FPJ_B_SAMB301_0","PUTATIVE UNCHARACTERIZED PROTEIN","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"ILE B 146;ILE B 168;ILE B  80;LEU B 132;VAL B 238","None","1.09A","3fpjB-1w85B:2.8","3fpjB-1w85B:24.48"],["3KW2_A_ADNA300_1","PROBABLE R-RNA METHYLTRANSFERASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"ALA B 318;VAL B 314;ILE B 204;LEU B 223;ALA B 230","None","1.05A","3kw2A-1w85B:3.1","3kw2A-1w85B:23.72"],["3L4D_A_TPFA490_1","STEROL 14-ALPHA DEMETHYLASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",4,"TYR A 170;ALA A 151;ALA A 167;LEU A  92","None","0.91A","3l4dA-1w85A:undetectable","3l4dA-1w85A:19.06"],["3OWX_B_XRAB233_1","RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE];RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE]","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"VAL B  77;PHE B  53;PHE A 191;GLY B  63;GLY B  61","None;PEG A1369 ( 4.2A);PEG A1369 (-4.8A);None;None","1.16A","3owxA-1w85B:5.0;3owxB-1w85B:5.0","3owxA-1w85B:20.73;3owxB-1w85B:20.73"],["3OXW_B_017B200_2","HIV-1 PROTEASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"LEU B 157;VAL B   6;GLY B  35;VAL B  30;ILE B   9","None","1.03A","3oxwB-1w85B:undetectable","3oxwB-1w85B:15.60"],["3Q70_A_RITA2001_2","CANDIDAPEPSIN-2","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",4,"THR A  78;SER A  88;ILE A 168;TYR A 170","None","0.87A","3q70A-1w85A:undetectable","3q70A-1w85A:23.45"],["3SFE_C_TMGC1_1","SUCCINATE DEHYDROGENASE [UBIQUINONE] IRON-SULFUR SUBUNIT, MITOCHONDRIAL;SUCCINATE DEHYDROGENASE CYTOCHROME B560 SUBUNIT, MITOCHONDRIAL","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",4,"PRO A 100;HIS A 111;ILE A 108;ILE A 131","None","1.12A","3sfeB-1w85A:undetectable;3sfeC-1w85A:undetectable","3sfeB-1w85A:20.42;3sfeC-1w85A:16.76"],["3W9T_B_W9TB504_1","HEMOLYTIC LECTIN CEL-III","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",4,"ASP B 130;GLU B 126;TYR B 298;GLN B 263","None","1.36A","3w9tB-1w85B:0.0","3w9tB-1w85B:20.62"],["4AZT_A_SAMA1472_1","METHYLTRANSFERASE WBDD","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus;Geobacillus stearothermophilus",3,"GLN A 178;ASP B  91;GLN B  96","TDP A1370 (-3.9A);None;None","0.87A","4aztA-1w85A:3.4","4aztA-1w85A:21.93"],["4BLV_A_SAMA1281_0","RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE J","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus;Geobacillus stearothermophilus",5,"LEU B  65;GLY A 189;GLY A 227;LEU A 156;PRO B  56","None","1.07A","4blvA-1w85B:2.8","4blvA-1w85B:22.90"],["4BQF_A_QPSA951_1","ALPHA-GLUCAN PHOSPHORYLASE 2, CYTOSOLIC","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",4,"GLY B  35;ARG B 177;GLU B 171;ARG B 115","None","1.47A","4bqfA-1w85B:undetectable","4bqfA-1w85B:17.37"],["4FGK_A_0TXA304_0","RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE]","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus;Geobacillus stearothermophilus",5,"GLY B  63;GLY B  61;VAL B  77;PHE B  53;PHE A 191","None;None;None;PEG A1369 ( 4.2A);PEG A1369 (-4.8A)","1.15A","4fgkA-1w85B:2.2;4fgkB-1w85B:4.9","4fgkA-1w85B:20.77;4fgkB-1w85B:20.77"],["4IOM_A_FOLA608_0","FORMATE--TETRAHYDROFOLATE LIGASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",4,"PRO B  78;GLU B 171;LEU B 157;LEU B  13","None","1.07A","4iomA-1w85B:2.4","4iomA-1w85B:23.56"],["4KIC_A_SAMA401_0","METHYLTRANSFERASE MPPJ","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",5,"GLY A 257;ILE A 196;ALA A 248;ALA A 167;PHE A 191","None;None;None;None;PEG A1369 (-4.8A)","1.05A","4kicA-1w85A:2.1","4kicA-1w85A:21.16"],["4MJ8_A_SPMA201_1","SPERMIDINE N1-ACETYLTRANSFERASE;SPERMIDINE N1-ACETYLTRANSFERASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",4,"MET A  50;GLU A 314;GLU A 313;GLU A 304","None","1.18A","4mj8A-1w85A:undetectable;4mj8C-1w85A:undetectable","4mj8A-1w85A:16.98;4mj8C-1w85A:16.98"],["4MJ8_B_SPMB201_1","SPERMIDINE N1-ACETYLTRANSFERASE;SPERMIDINE N1-ACETYLTRANSFERASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",4,"MET A  50;GLU A 314;GLU A 313;GLU A 304","None","1.16A","4mj8B-1w85A:undetectable;4mj8C-1w85A:undetectable","4mj8B-1w85A:16.98;4mj8C-1w85A:16.98"],["4ODO_B_FK5B203_2","PEPTIDYL-PROLYL CIS-TRANS ISOMERASE SLYD;PEPTIDYL-PROLYL CIS-TRANS ISOMERASE SLYD","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",3,"ALA A 188;GLN A 147;GLY A 101","None","0.53A","4odoC-1w85A:undetectable","4odoC-1w85A:19.02"],["4PEV_B_ADNB501_2","MEMBRANE LIPOPROTEIN FAMILY PROTEIN","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",3,"PRO A 139;LEU A 138;GLN B  96","None","0.73A","4pevB-1w85A:2.5","4pevB-1w85A:23.21"],["4R38_A_RBFA201_2","BLUE-LIGHT-ACTIVATED HISTIDINE KINASE 2","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",4,"ILE B 192;VAL B 136;LEU B 142;ILE B  93","None","0.78A","4r38A-1w85B:undetectable","4r38A-1w85B:23.00"],["4R38_D_RBFD201_2","BLUE-LIGHT-ACTIVATED HISTIDINE KINASE 2","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",4,"ILE B 192;VAL B 136;LEU B 142;ILE B  93","None","0.74A","4r38D-1w85B:0.8","4r38D-1w85B:23.00"],["4URO_A_NOVA2000_1","DNA GYRASE SUBUNIT B","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"GLU A 183;ILE B  62;ASP B  29;GLN B  81;ILE B  80","None","1.16A","4uroA-1w85A:undetectable","4uroA-1w85A:22.62"],["4URO_B_NOVB2000_1","DNA GYRASE SUBUNIT B","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"GLU A 183;ILE B  62;ASP B  29;GLN B  81;ILE B  80","None","1.16A","4uroB-1w85A:undetectable","4uroB-1w85A:22.62"],["4URO_C_NOVC2000_1","DNA GYRASE SUBUNIT B","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"GLU A 183;ILE B  62;ASP B  29;GLN B  81;ILE B  80","None","1.11A","4uroC-1w85A:undetectable","4uroC-1w85A:22.62"],["4WQ4_A_ACTA403_0","TRNA N6-ADENOSINE THREONYLCARBAMOYLTRANSFERASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",3,"VAL B 213;LEU B 217;VAL B 232","None","0.46A","4wq4A-1w85B:undetectable","4wq4A-1w85B:20.54"],["4XDT_A_ACTA406_0","FAD:PROTEIN FMN TRANSFERASE","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",4,"SER A  63;ARG A  62;LEU A  59;ASP A  60","None","1.47A","4xdtA-1w85A:0.0","4xdtA-1w85A:22.56"],["4ZVM_B_DM2B303_1","RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE];RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE]","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"VAL B  77;PHE B  53;PHE A 191;GLY B  63;GLY B  61","None;PEG A1369 ( 4.2A);PEG A1369 (-4.8A);None;None","1.15A","4zvmA-1w85B:5.0;4zvmB-1w85B:5.5","4zvmA-1w85B:20.18;4zvmB-1w85B:20.18"],["4ZZB_E_ACTE403_0","PROTON-GATED ION CHANNEL","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",3,"ARG B 115;TYR B 176;GLU B 171","None","0.67A","4zzbE-1w85B:undetectable","4zzbE-1w85B:22.48"],["5C6P_A_4YHA601_1","PROTEIN C","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",4,"ALA A  87;SER A  88;GLN A  81;PRO A 295","None","0.79A","5c6pA-1w85A:undetectable","5c6pA-1w85A:21.35"],["5JCN_B_ASCB502_0","OS09G0567300 PROTEIN","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",4,"GLU A  82;GLY A  80;ARG A  57;ARG A 298","None","1.43A","5jcnB-1w85A:undetectable","5jcnB-1w85A:23.78"],["5JNC_D_ACTD305_0","CARBONIC ANHYDRASE 4","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",5,"PRO A  39;ALA A  37;ALA A 243;ILE A  25;LEU A  26","None","1.24A","5jncD-1w85A:undetectable","5jncD-1w85A:20.60"],["5NNA_A_BZMA301_0","ISATIN HYDROLASE A","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"ILE B  25;LEU B  13;VAL B  52;GLY B  31;GLY B  42","None","1.21A","5nnaA-1w85B:undetectable","5nnaA-1w85B:21.76"],["5NNA_B_BZMB301_0","ISATIN HYDROLASE A","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"ILE B  25;LEU B  13;VAL B  52;GLY B  31;GLY B  42","None","1.23A","5nnaB-1w85B:undetectable","5nnaB-1w85B:21.76"],["5NNA_D_BZMD301_0","ISATIN HYDROLASE A","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"ILE B  25;LEU B  13;VAL B  52;GLY B  31;GLY B  42","None","1.22A","5nnaD-1w85B:undetectable","5nnaD-1w85B:21.76"],["5OG9_A_TESA503_1","-","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"LEU B 142;ILE B  80;LEU B 170;PRO B  76;ALA B  66","None","1.20A","5og9A-1w85B:undetectable","5og9A-1w85B:21.90"],["5UUN_A_ACTA312_0","GLUTATHIONE S-TRANSFERASE-LIKE PROTEIN","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",3,"ILE B 192;VAL B 145;PRO B 147","None","0.60A","5uunA-1w85B:undetectable","5uunA-1w85B:21.28"],["5VKQ_C_PCFC1805_0","NO MECHANORECEPTOR POTENTIAL C ISOFORM L","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",5,"GLY A 269;LEU A  72;GLY A  80;PHE A 119;ILE A 325","None","0.87A","5vkqC-1w85A:undetectable;5vkqD-1w85A:undetectable","5vkqC-1w85A:12.40;5vkqD-1w85A:12.40"],["6AWO_A_SREA701_1","SODIUM-DEPENDENT SEROTONIN TRANSPORTER","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"ALA A 152;PHE A 181;GLY A 145;SER B  60;GLY B  64","None;None;None; MG B1326 ( 4.7A);None","1.08A","6awoA-1w85A:undetectable","6awoA-1w85A:21.65"],["6AWQ_A_SREA701_1","SODIUM-DEPENDENT SEROTONIN TRANSPORTER","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"ALA A 152;PHE A 181;GLY A 145;SER B  60;GLY B  64","None;None;None; MG B1326 ( 4.7A);None","1.09A","6awqA-1w85A:undetectable","6awqA-1w85A:21.65"],["6BQG_A_ERMA1201_2","5-HYDROXYTRYPTAMINE RECEPTOR 2C,SOLUBLE CYTOCHROME B562","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT","Geobacillus stearothermophilus",4,"VAL A 241;THR A 263;LEU A  49;LEU A 296","None","1.01A","6bqgA-1w85A:undetectable","6bqgA-1w85A:12.39"],["6CE2_B_SVRB202_2","-","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, ALPHA SUBUNIT;PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",6,"LEU A  99;LEU A 138;GLY A 153;GLY B  68;GLY B  73;TYR B 108","None","1.40A","6ce2B-1w85A:undetectable","6ce2B-1w85A:14.72"],["6FGC_A_D95A816_0","GEPHYRIN","1w85","PYRUVATE DEHYDROGENASE E1 COMPONENT, BETA SUBUNIT","Geobacillus stearothermophilus",5,"ASP B 130;PHE B  83;LEU B 170;LEU B 135;MET B  90","None","1.44A","6fgcA-1w85B:3.6","6fgcA-1w85B:17.22"]]