POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

	DrReposER ID / Desc.	Hit PDBID	Hit Macromolecule	Res. Matches	Interface	HETATM	RMSD	Seq. Identity (%)	View	Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	1d7w	MYELOPEROXIDASE (Homo sapiens)	4 / 8	LEU C 464 TYR C 468 ILE A  68 ILE C 397	None	0.75A	21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	1u6g	TIP120 PROTEIN (Homo sapiens)	4 / 8	LEU C 892 ILE C 932 ILE C 916 ILE C 917	None	0.74A	16.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	1y8p	[PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 3 (Homo sapiens)	4 / 8	LEU A  57 TYR A  84 HIS A 119 ILE A 165	None	0.73A	64.59
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.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	2a2d	N-ACETYLGALACTOSAMIN E KINASE (Homo sapiens)	4 / 8	LEU A 249 ILE A 315 ILE A 300 ILE A 306	None	0.80A	22.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	2bu2	PYRUVATE DEHYDROGENSAE KINASE ISOENZYME 2 (Homo sapiens)	8 / 8	LEU A  53 TYR A  80 ILE A 111 HIS A 115 ARG A 154 ILE A 157 ARG A 158 ILE A 161	None	0.17A	100.00
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.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	2dnw	ACYL CARRIER PROTEIN (Homo sapiens)	4 / 8	LEU A  24 ILE A  81 ILE A  55 ILE A  56	None	0.82A	15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	2eax	PEPTIDOGLYCAN RECOGNITION PROTEIN-I-BETA (Homo sapiens)	4 / 8	LEU A 345 ILE A 330 ILE A 238 ILE A 307	None	0.81A	18.20
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.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	2h3m	TIGHT JUNCTION PROTEIN ZO-1 (Homo sapiens)	4 / 8	LEU A  95 ILE A 104 ILE A  38 ILE A  56	None	0.82A	11.08
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.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	2irw	CORTICOSTEROID 11-BETA-DEHYDROGENAS E ISOZYME 1 (Homo sapiens)	4 / 8	LEU A  54 ILE A 117 ILE A 246 ILE A 245	None	0.83A	22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	2iwq	MULTIPLE PDZ DOMAIN PROTEIN (Homo sapiens)	4 / 8	LEU A1202 ILE A1208 ILE A1164 ILE A1166	None	0.82A	15.52
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.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	2kiv	ANKYRIN REPEAT AND STERILE ALPHA MOTIF DOMAIN-CONTAINING PROTEIN 1B (Homo sapiens)	4 / 8	LEU A  20 ILE A  55 ILE A  44 ILE A  46	None	0.78A	16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	2kiv	ANKYRIN REPEAT AND STERILE ALPHA MOTIF DOMAIN-CONTAINING PROTEIN 1B (Homo sapiens)	4 / 8	TYR A  16 ILE A  44 ILE A  55 ARG A  52	None	0.83A	16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	2ou2	HISTONE ACETYLTRANSFERASE HTATIP (Homo sapiens)	4 / 8	TYR A 365 ILE A 370 ILE A 398 ILE A 392	None	0.81A	23.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	2q8h	[PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1 (Homo sapiens)	5 / 8	LEU A  87 TYR A 114 ARG A 188 ILE A 191 ARG A 192	None TF4  A 438 (-3.8A) TF4  A 438 (-4.2A) TF4  A 438 (-3.4A) TF4  A 438 ( 4.8A)	0.82A	68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	2q8h	[PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1 (Homo sapiens)	5 / 8	LEU A  87 TYR A 114 ILE A 145 ARG A 188 ILE A 191	None TF4  A 438 (-3.8A) None TF4  A 438 (-4.2A) TF4  A 438 (-3.4A)	0.61A	68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	2zkj	[PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 4 (Homo sapiens)	4 / 8	LEU A  65 TYR A  92 HIS A 127 ARG A 166	None	0.71A	65.32
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.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	3c5w	PP2A A SUBUNIT (Homo sapiens)	5 / 8	LEU A  35 ILE A 408 ARG A  28 ILE A  32 ILE A 423	None	1.22A	22.78
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.	2BU8_A_TF4A1379_1 (PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2)	3jwo	HIV-1 GP120 ENVELOPE GLYCOPROTEIN (Homo sapiens)	4 / 8	LEU A 483 TYR A 486 ILE A 251 ILE A 215	None	0.67A	22.47
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.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	1ek6	UDP-GALACTOSE 4-EPIMERASE (Homo sapiens)	4 / 6	LEU A  22 TYR A  27 ILE A  86 ILE A 252	None TMA  A 952 ( 3.6A) None None	0.99A	21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	1kgd	PERIPHERAL PLASMA MEMBRANE CASK (Homo sapiens)	4 / 6	LEU A 901 ILE A 829 ARG A 747 ILE A 750	None	0.96A	19.05
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.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	1m9i	ANNEXIN VI (Homo sapiens)	4 / 6	LEU A 203 ILE A 226 ILE A 249 ARG A 250	None	0.92A	20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	2bu2	PYRUVATE DEHYDROGENSAE KINASE ISOENZYME 2 (Homo sapiens)	4 / 6	LEU A  53 ILE A 111 ARG A 158 ILE A 157	None	0.89A	68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	2bu2	PYRUVATE DEHYDROGENSAE KINASE ISOENZYME 2 (Homo sapiens)	5 / 6	LEU A  53 TYR A  80 ARG A 154 ILE A 157 ARG A 158	None	0.84A	68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	2bu2	PYRUVATE DEHYDROGENSAE KINASE ISOENZYME 2 (Homo sapiens)	5 / 6	LEU A  53 TYR A  80 ILE A 111 ARG A 154 ILE A 157	None	0.57A	68.56
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.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	2nz0	POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY D MEMBER 3 (Homo sapiens)	4 / 6	LEU B  44 TYR B  82 ILE B  42 ARG B  55	None	0.96A	13.78
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.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	2r2p	EPHRIN TYPE-A RECEPTOR 5 (Homo sapiens)	4 / 6	LEU A 791 ILE A 727 ARG A 799 ARG A 823	None None SO4  A   1 ( 3.1A) SO4  A   1 ( 3.9A)	0.94A	20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	3gov	MASP-1 (Homo sapiens)	4 / 6	LEU A 304 TYR A 319 ILE A 347 ILE A 312	None	0.80A	17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	3ia8	THAP DOMAIN-CONTAINING PROTEIN 4 (Homo sapiens)	4 / 6	LEU A 106 ILE A  74 ARG A 129 ILE A 108	None None HEM  A   1 (-3.5A) None	0.95A	17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	3ksy	SON OF SEVENLESS HOMOLOG 1 (Homo sapiens)	5 / 6	LEU A 343 TYR A 298 ILE A 245 ILE A 222 ARG A 227	None	1.40A	16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	3my0	SERINE/THREONINE-PRO TEIN KINASE RECEPTOR R3 (Homo sapiens)	4 / 6	LEU A 251 TYR A 246 ILE A 326 ILE A 256	None	0.97A	20.89
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.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	3uo7	G/T MISMATCH-SPECIFIC THYMINE DNA GLYCOSYLASE (Homo sapiens)	4 / 6	LEU A 292 ILE A 187 ARG A 225 ILE A 226	None	0.83A	20.56
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.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	4aqb	MANNAN-BINDING LECTIN SERINE PROTEASE 1 (Homo sapiens)	4 / 6	LEU A 304 TYR A 319 ILE A 347 ILE A 312	None	0.78A	21.86
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.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	4c02	ACTIVIN RECEPTOR TYPE-1 (Homo sapiens)	4 / 6	LEU A 257 TYR A 252 ILE A 332 ILE A 262	None	0.84A	23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	4fg8	CALCIUM/CALMODULIN-D EPENDENT PROTEIN KINASE TYPE 1 (Homo sapiens)	4 / 6	LEU A 211 ILE A 158 ILE A 107 ARG A 106	None	0.99A	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.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	4hjj	ANTI-IL12 ANTI-IL18 DFAB LIGHT CHAIN (Homo sapiens)	5 / 6	LEU L 186 TYR L 199 ILE L 171 ILE L 188 ARG L 174	None	1.33A	19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	4igd	MANNAN-BINDING LECTIN SERINE PROTEASE 1 (Homo sapiens)	4 / 6	LEU A 304 TYR A 319 ILE A 347 ILE A 312	None	0.86A	20.55
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.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	5a4p	UBIQUITIN-CONJUGATIN G ENZYME E2 Z (Homo sapiens)	4 / 6	LEU A 313 TYR A 310 ARG A 245 ILE A 249	PEG  A1332 (-4.9A) None None None	0.97A	20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	5g53	ADENOSINE RECEPTOR A2A ENGINEERED DOMAIN OF HUMAN G ALPHA S LONG ISOFORM (Homo sapiens)	4 / 6	LEU C 393 TYR C 391 ILE A 238 ILE A 200	None	1.01A	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.	2Q8H_A_TF4A438_1 ([PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZYME 1)	5gw9	GRANULOCYTE COLONY-STIMULATING FACTOR (Homo sapiens)	4 / 6	LEU A  36 TYR A  40 ILE A  96 ARG A 147	None	0.94A	18.45