SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2g28'

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)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Dali
Z-score
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.
1A4L_C_DCFC1353_2
(ADENOSINE DEAMINASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 5 LEU A 475
LEU A 473
SER A 584
LEU A 590
None
0.96A 1a4lC-2g28A:
undetectable
1a4lC-2g28A:
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.
1EA1_A_TPFA470_1
(CYTOCHROME P450
51-LIKE RV0764C)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 8 TYR A 322
PHE A 325
THR A 344
LEU A 313
None
1.26A 1ea1A-2g28A:
undetectable
1ea1A-2g28A:
18.56
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 10 ILE A 369
ASN A 258
SER A 109
ILE A 143
ILE A 116
None
1.30A 1j3jA-2g28A:
undetectable
1j3jA-2g28A:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA733_1
(ALPHA AMYLASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 6 SER A 220
ASN A 252
LEU A 250
ASP A 251
None
1.33A 1mxdA-2g28A:
undetectable
1mxdA-2g28A:
19.60
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.
1XIU_A_9CRA201_1
(RXR-LIKE PROTEIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 CYH A 611
ALA A 613
ALA A 614
LEU A 196
LEU A 623
None
0.64A 1xiuA-2g28A:
undetectable
1xiuA-2g28A:
15.08
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.
1ZQ9_A_SAMA4000_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLY A 732
LEU A 729
LEU A 735
VAL A 822
SER A 649
None
1.14A 1zq9A-2g28A:
undetectable
1zq9A-2g28A:
15.14
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.
2AOI_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 5 LEU A 565
PRO A 594
VAL A 516
ILE A 518
None
0.88A 2aoiB-2g28A:
undetectable
2aoiB-2g28A:
8.21
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.
2AVV_E_MK1E902_3
(POL POLYPROTEIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.91A 2avvE-2g28A:
undetectable
2avvE-2g28A:
8.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CDQ_B_SAMB1500_0
(ASPARTOKINASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 7 SER A 753
ARG A 859
LEU A 856
GLU A 861
None
0.94A 2cdqB-2g28A:
undetectable
2cdqB-2g28A:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F80_B_017B301_2
(POL POLYPROTEIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.76A 2f80B-2g28A:
undetectable
2f80B-2g28A:
8.21
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.
2F81_A_017A302_2
(POL POLYPROTEIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.84A 2f81B-2g28A:
undetectable
2f81B-2g28A:
8.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8G_B_017B401_2
(POL POLYPROTEIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.74A 2f8gB-2g28A:
undetectable
2f8gB-2g28A:
8.21
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.
2GL0_C_ADNC903_1
(CONSERVED
HYPOTHETICAL PROTEIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 ILE A 391
THR A 115
ALA A 114
HIS A 364
SER A  83
None
1.40A 2gl0A-2g28A:
undetectable
2gl0C-2g28A:
undetectable
2gl0A-2g28A:
11.61
2gl0C-2g28A:
11.61
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.
2GL0_D_ADND904_1
(CONSERVED
HYPOTHETICAL PROTEIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 HIS A 364
SER A  83
ILE A 391
THR A 115
ALA A 114
None
1.44A 2gl0D-2g28A:
undetectable
2gl0E-2g28A:
undetectable
2gl0D-2g28A:
11.61
2gl0E-2g28A:
11.61
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.
2HDN_J_TACJ5888_1
(ELONGATION FACTOR
EF-TU)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 6 THR A 631
ASP A 802
SER A 800
VAL A 738
None
1.10A 2hdnI-2g28A:
undetectable
2hdnJ-2g28A:
undetectable
2hdnL-2g28A:
undetectable
2hdnI-2g28A:
3.90
2hdnJ-2g28A:
18.93
2hdnL-2g28A:
18.93
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.
2HDN_L_TACL6888_1
(ELONGATION FACTOR
EF-TU)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 6 SER A 800
VAL A 738
THR A 631
ASP A 802
None
1.16A 2hdnJ-2g28A:
undetectable
2hdnK-2g28A:
undetectable
2hdnL-2g28A:
undetectable
2hdnJ-2g28A:
18.93
2hdnK-2g28A:
3.90
2hdnL-2g28A:
18.93
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.
2HS2_A_017A201_2
(PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.94A 2hs2B-2g28A:
undetectable
2hs2B-2g28A:
8.21
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.
2I91_A_ACTA601_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 7 ALA A 580
SER A 584
THR A 587
ASN A 588
None
1.00A 2i91A-2g28A:
2.1
2i91A-2g28A:
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.
2I91_B_ACTB602_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 7 ALA A 580
SER A 584
THR A 587
ASN A 588
None
1.00A 2i91B-2g28A:
2.3
2i91B-2g28A:
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.
2IEN_B_017B402_2
(PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLY A 573
ALA A 574
PRO A 594
VAL A 516
ILE A 518
None
0.81A 2ienB-2g28A:
undetectable
2ienB-2g28A:
8.21
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.
2IEN_B_017B402_2
(PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.77A 2ienB-2g28A:
undetectable
2ienB-2g28A:
8.21
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLN A 204
LEU A 196
GLY A 200
ALA A 614
ALA A 613
None
0.96A 2oc8A-2g28A:
undetectable
2oc8A-2g28A:
12.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2P16_A_GG2A298_2
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
3 / 3 ARG A 465
GLU A 185
GLN A 618
None
0.95A 2p16A-2g28A:
undetectable
2p16A-2g28A:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0Z_O_C41O1327_2
(RENIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 8 TYR A 596
SER A 493
THR A 494
PRO A 660
None
1.10A 2v0zO-2g28A:
undetectable
2v0zO-2g28A:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X7H_A_PFNA1375_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 5 SER A 760
PHE A 807
VAL A 811
TYR A 658
None
1.40A 2x7hA-2g28A:
undetectable
2x7hA-2g28A:
18.65
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.
2X7H_B_PFNB1372_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 5 SER A 760
PHE A 807
VAL A 811
TYR A 658
None
1.42A 2x7hB-2g28A:
undetectable
2x7hB-2g28A:
18.65
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.
2XZ5_C_ACHC1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 8 THR A 651
GLN A 648
TYR A 688
CYH A 655
None
1.25A 2xz5A-2g28A:
undetectable
2xz5C-2g28A:
undetectable
2xz5A-2g28A:
15.48
2xz5C-2g28A:
15.48
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.
3BGD_B_PM6B302_1
(THIOPURINE
S-METHYLTRANSFERASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 7 THR A 587
GLN A 222
LEU A 211
LEU A 208
None
0.87A 3bgdB-2g28A:
0.8
3bgdB-2g28A:
15.78
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.
3BVB_B_017B401_1
(PROTEASE
(RETROPEPSIN))
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.88A 3bvbA-2g28A:
undetectable
3bvbA-2g28A:
8.05
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.
3BVB_B_017B401_2
(PROTEASE
(RETROPEPSIN))
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.82A 3bvbB-2g28A:
undetectable
3bvbB-2g28A:
8.05
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.
3CYW_A_017A201_1
(HIV-1 PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.87A 3cywA-2g28A:
undetectable
3cywA-2g28A:
8.21
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.
3CYW_A_017A201_2
(HIV-1 PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.74A 3cywB-2g28A:
undetectable
3cywB-2g28A:
8.21
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.
3D1X_A_ROCA201_2
(HIV-1 PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.89A 3d1xB-2g28A:
undetectable
3d1xB-2g28A:
7.98
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.
3D20_A_017A201_2
(HIV-1 PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.73A 3d20B-2g28A:
undetectable
3d20B-2g28A:
8.21
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.
3DEU_A_SALA305_1
(TRANSCRIPTIONAL
REGULATOR SLYA)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 7 VAL A 292
ILE A 369
ILE A 116
SER A 113
THR A 390
None
1.40A 3deuA-2g28A:
undetectable
3deuA-2g28A:
11.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_A_H3PA552_1
(GLUTAMATE
DEHYDROGENASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 6 ILE A 624
TYR A 599
MET A 528
ILE A 519
None
TDK  A 887 (-4.3A)
None
None
1.20A 3eteA-2g28A:
3.1
3eteE-2g28A:
2.4
3eteA-2g28A:
21.87
3eteE-2g28A:
21.87
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.
3ETE_C_H3PC554_1
(GLUTAMATE
DEHYDROGENASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 5 ILE A 624
TYR A 599
MET A 528
ILE A 519
None
TDK  A 887 (-4.3A)
None
None
1.15A 3eteB-2g28A:
2.4
3eteC-2g28A:
3.2
3eteB-2g28A:
21.87
3eteC-2g28A:
21.87
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.
3JW2_A_017A401_1
(GAG-POL POLYPROTEIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.85A 3jw2A-2g28A:
undetectable
3jw2A-2g28A:
8.21
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLN A 111
GLY A 397
GLY A 395
SER A 327
ALA A 399
None
1.08A 3kkzA-2g28A:
undetectable
3kkzA-2g28A:
14.59
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.
3KKZ_B_SAMB302_0
(UNCHARACTERIZED
PROTEIN Q5LES9)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLN A 111
GLY A 397
GLY A 395
SER A 327
ALA A 399
None
1.07A 3kkzB-2g28A:
undetectable
3kkzB-2g28A:
14.59
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.
3LZS_A_017A200_1
(HIV-1 PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.81A 3lzsA-2g28A:
undetectable
3lzsA-2g28A:
8.52
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.
3LZS_A_017A200_2
(HIV-1 PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.80A 3lzsB-2g28A:
undetectable
3lzsB-2g28A:
8.52
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.
3LZU_A_017A200_1
(HIV-1 PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.79A 3lzuA-2g28A:
undetectable
3lzuA-2g28A:
8.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZU_A_017A200_2
(HIV-1 PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.79A 3lzuB-2g28A:
undetectable
3lzuB-2g28A:
8.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWM_B_017B402_1
(PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.86A 3pwmA-2g28A:
undetectable
3pwmA-2g28A:
8.21
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.
3PWM_B_017B402_2
(PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLY A 573
ALA A 574
PRO A 594
VAL A 516
ILE A 518
None
0.84A 3pwmB-2g28A:
undetectable
3pwmB-2g28A:
8.21
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.
3PWM_B_017B402_2
(PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.87A 3pwmB-2g28A:
undetectable
3pwmB-2g28A:
8.21
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.
3SXJ_A_SAMA258_0
(PUTATIVE
METHYLTRANSFERASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLN A 111
GLY A 397
GLY A 395
SER A 327
ALA A 399
None
1.00A 3sxjA-2g28A:
2.3
3sxjA-2g28A:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXJ_B_SAMB258_0
(PUTATIVE
METHYLTRANSFERASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLN A 111
GLY A 397
GLY A 395
SER A 327
ALA A 399
None
1.00A 3sxjB-2g28A:
undetectable
3sxjB-2g28A:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLN A 111
GLY A 397
GLY A 395
SER A 327
ALA A 399
None
1.14A 3t7sB-2g28A:
undetectable
3t7sB-2g28A:
15.06
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.
3T7S_D_SAMD300_0
(PUTATIVE
METHYLTRANSFERASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLN A 111
GLY A 397
GLY A 395
SER A 327
ALA A 399
None
1.11A 3t7sD-2g28A:
undetectable
3t7sD-2g28A:
15.06
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.
3TKW_B_017B401_2
(PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.77A 3tkwB-2g28A:
undetectable
3tkwB-2g28A:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TL9_A_ROCA401_3
(PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.88A 3tl9B-2g28A:
undetectable
3tl9B-2g28A:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VLN_A_ASCA904_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 6 LEU A 196
PRO A 198
GLU A 237
SER A 238
None
1.01A 3vlnA-2g28A:
undetectable
3vlnA-2g28A:
14.92
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.
3WIP_D_ACHD301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 8 TYR A  59
THR A 390
TYR A 322
TRP A 294
None
1.41A 3wipD-2g28A:
undetectable
3wipE-2g28A:
undetectable
3wipD-2g28A:
13.96
3wipE-2g28A:
13.96
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.
4A6D_A_SAMA1350_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
6 / 12 GLY A 363
ILE A 386
VAL A 292
PHE A 227
ALA A 114
ARG A  82
None
0.96A 4a6dA-2g28A:
2.0
4a6dA-2g28A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6E_A_SAMA1349_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
6 / 12 GLY A 363
ILE A 386
VAL A 292
PHE A 227
ALA A 114
ARG A  82
None
1.07A 4a6eA-2g28A:
undetectable
4a6eA-2g28A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZS_A_SAMA1475_1
(METHYLTRANSFERASE
WBDD)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
3 / 3 ARG A 676
ASP A 770
GLN A 769
None
0.79A 4azsA-2g28A:
3.0
4azsA-2g28A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 ALA A 245
MET A 233
LEU A 278
VAL A 385
THR A 246
None
1.41A 4eilA-2g28A:
undetectable
4eilA-2g28A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 ALA A 245
MET A 233
LEU A 278
VAL A 385
THR A 246
None
1.41A 4eilC-2g28A:
undetectable
4eilC-2g28A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 ALA A 245
MET A 233
LEU A 278
VAL A 385
THR A 246
None
1.40A 4eilE-2g28A:
undetectable
4eilE-2g28A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 5 SER A 733
GLY A 732
THR A 825
ASP A 659
None
0.91A 4eohA-2g28A:
undetectable
4eohA-2g28A:
16.48
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.
4FP9_D_SAMD401_1
(METHYLTRANSFERASE
NSUN4)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
3 / 3 ASP A 819
ARG A 859
ASP A 794
None
0.82A 4fp9D-2g28A:
undetectable
4fp9D-2g28A:
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.
4HLA_A_017A200_1
(PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.87A 4hlaA-2g28A:
undetectable
4hlaA-2g28A:
7.59
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.
4HLA_A_017A200_2
(PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.93A 4hlaB-2g28A:
undetectable
4hlaB-2g28A:
7.59
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.
4IIL_A_RBFA401_1
(MEMBRANE LIPOPROTEIN
TPN38(B))
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 TYR A 598
TYR A 686
ILE A 652
TRP A 578
GLY A 575
None
1.48A 4iilA-2g28A:
2.8
4iilA-2g28A:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 9 TYR A 117
PHE A 125
CYH A 120
ILE A 386
None
0.98A 4jvlA-2g28A:
undetectable
4jvlA-2g28A:
15.69
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.
4KMU_C_RFPC1401_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLN A 617
GLN A 188
ARG A 128
SER A 586
ASN A 588
None
1.43A 4kmuC-2g28A:
0.0
4kmuC-2g28A:
21.52
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.
4KN2_B_LYAB304_1
(FOLATE RECEPTOR BETA)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 THR A 495
ARG A 630
GLY A 637
SER A 733
TYR A 696
None
1.28A 4kn2B-2g28A:
0.0
4kn2B-2g28A:
12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 ALA A 245
MET A 233
LEU A 278
VAL A 385
THR A 246
None
1.40A 4kyaA-2g28A:
undetectable
4kyaA-2g28A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 10 ALA A 245
MET A 233
LEU A 278
VAL A 385
THR A 246
None
1.42A 4kyaC-2g28A:
undetectable
4kyaC-2g28A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 ALA A 245
MET A 233
LEU A 278
VAL A 385
THR A 246
None
1.42A 4kyaE-2g28A:
2.2
4kyaE-2g28A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 ALA A 245
MET A 233
LEU A 278
VAL A 385
THR A 246
None
1.41A 4kyaG-2g28A:
undetectable
4kyaG-2g28A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OU1_A_BEZA302_0
(RETRO-ALDOLASE,
DESIGN RA114)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 8 ILE A  85
ASN A  88
ALA A 149
TRP A  87
None
0.93A 4ou1A-2g28A:
undetectable
4ou1A-2g28A:
15.80
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.
4QB9_F_PARF500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 PHE A 807
SER A 657
GLU A 522
TYR A 598
GLY A 625
None
None
TDK  A 887 (-4.3A)
None
None
1.20A 4qb9F-2g28A:
undetectable
4qb9F-2g28A:
18.97
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.
4QVL_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.34A 4qvlV-2g28A:
undetectable
4qvlb-2g28A:
undetectable
4qvlV-2g28A:
13.96
4qvlb-2g28A:
12.47
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.
4QVL_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.34A 4qvlH-2g28A:
undetectable
4qvlN-2g28A:
undetectable
4qvlH-2g28A:
13.96
4qvlN-2g28A:
12.47
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.
4QVM_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.33A 4qvmV-2g28A:
undetectable
4qvmb-2g28A:
undetectable
4qvmV-2g28A:
13.96
4qvmb-2g28A:
12.47
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.
4QVM_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.33A 4qvmH-2g28A:
undetectable
4qvmN-2g28A:
undetectable
4qvmH-2g28A:
13.96
4qvmN-2g28A:
12.47
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.
4QVP_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.34A 4qvpV-2g28A:
undetectable
4qvpb-2g28A:
undetectable
4qvpV-2g28A:
13.96
4qvpb-2g28A:
12.47
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.
4QVP_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.34A 4qvpH-2g28A:
undetectable
4qvpN-2g28A:
undetectable
4qvpH-2g28A:
13.96
4qvpN-2g28A:
12.47
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.
4QVQ_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.35A 4qvqV-2g28A:
undetectable
4qvqb-2g28A:
undetectable
4qvqV-2g28A:
13.96
4qvqb-2g28A:
12.47
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.
4QVQ_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.35A 4qvqH-2g28A:
undetectable
4qvqN-2g28A:
undetectable
4qvqH-2g28A:
13.96
4qvqN-2g28A:
12.47
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.
4QVW_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.34A 4qvwV-2g28A:
undetectable
4qvwb-2g28A:
undetectable
4qvwV-2g28A:
13.96
4qvwb-2g28A:
12.47
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.
4QVW_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.34A 4qvwH-2g28A:
undetectable
4qvwN-2g28A:
undetectable
4qvwH-2g28A:
13.96
4qvwN-2g28A:
12.47
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.
4QW0_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.33A 4qw0V-2g28A:
undetectable
4qw0b-2g28A:
undetectable
4qw0V-2g28A:
13.96
4qw0b-2g28A:
12.47
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.
4QW0_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.32A 4qw0H-2g28A:
undetectable
4qw0N-2g28A:
undetectable
4qw0H-2g28A:
13.96
4qw0N-2g28A:
12.47
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.
4QW1_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.36A 4qw1V-2g28A:
undetectable
4qw1b-2g28A:
undetectable
4qw1V-2g28A:
13.96
4qw1b-2g28A:
12.47
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.
4QW1_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.36A 4qw1H-2g28A:
undetectable
4qw1N-2g28A:
undetectable
4qw1H-2g28A:
13.96
4qw1N-2g28A:
12.47
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.
4QW3_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.34A 4qw3V-2g28A:
undetectable
4qw3b-2g28A:
undetectable
4qw3V-2g28A:
13.96
4qw3b-2g28A:
12.47
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.
4QW3_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.34A 4qw3H-2g28A:
undetectable
4qw3N-2g28A:
undetectable
4qw3H-2g28A:
13.96
4qw3N-2g28A:
12.47
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.
4QWU_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.39A 4qwuV-2g28A:
undetectable
4qwub-2g28A:
undetectable
4qwuV-2g28A:
13.96
4qwub-2g28A:
12.47
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.
4QWU_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.39A 4qwuH-2g28A:
undetectable
4qwuN-2g28A:
undetectable
4qwuH-2g28A:
13.96
4qwuN-2g28A:
12.47
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.
4YV5_B_SVRB207_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 7 ASN A 695
TYR A 662
TYR A 664
LEU A 484
None
0.93A 4yv5B-2g28A:
undetectable
4yv5B-2g28A:
8.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BXN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.36A 5bxnV-2g28A:
undetectable
5bxnb-2g28A:
undetectable
5bxnV-2g28A:
13.84
5bxnb-2g28A:
12.47
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.
5BXN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.35A 5bxnH-2g28A:
undetectable
5bxnN-2g28A:
undetectable
5bxnH-2g28A:
13.84
5bxnN-2g28A:
12.47
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.
5CZ7_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.35A 5cz7H-2g28A:
undetectable
5cz7N-2g28A:
undetectable
5cz7H-2g28A:
13.96
5cz7N-2g28A:
12.47
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.
5CZY_A_SAMA603_0
(LEGIONELLA EFFECTOR
LEGAS4)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 531
GLY A 530
ARG A 533
ASN A 503
LEU A 506
None
1.34A 5czyA-2g28A:
undetectable
5czyA-2g28A:
19.78
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.
5D0X_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.33A 5d0xV-2g28A:
undetectable
5d0xb-2g28A:
undetectable
5d0xV-2g28A:
13.96
5d0xb-2g28A:
12.47
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.
5D0X_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.33A 5d0xH-2g28A:
undetectable
5d0xN-2g28A:
undetectable
5d0xH-2g28A:
13.96
5d0xN-2g28A:
12.47
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.
5ESG_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 4 LEU A 502
TYR A 687
PRO A 594
ILE A 518
None
1.40A 5esgA-2g28A:
undetectable
5esgA-2g28A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EWU_A_BEZA1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 6 GLY A 824
THR A 825
SER A 800
VAL A 843
None
0.86A 5ewuA-2g28A:
1.5
5ewuA-2g28A:
19.80
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.
5EWU_B_BEZB1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 6 GLY A 824
THR A 825
SER A 800
VAL A 843
None
1.02A 5ewuB-2g28A:
undetectable
5ewuB-2g28A:
19.80
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.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 8 LEU A 610
GLY A 575
ALA A 574
SER A 577
None
0.82A 5f1aA-2g28A:
undetectable
5f1aA-2g28A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 7 LEU A 610
GLY A 575
ALA A 574
SER A 577
None
0.82A 5f1aB-2g28A:
undetectable
5f1aB-2g28A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FEP_A_SAMA407_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 SER A 760
GLY A 712
LEU A 764
ARG A 766
TYR A 687
None
1.14A 5fepA-2g28A:
0.3
5fepA-2g28A:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FES_A_SAMA408_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 SER A 760
GLY A 712
LEU A 764
ARG A 766
TYR A 687
None
1.14A 5fesA-2g28A:
0.4
5fesA-2g28A:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G48_A_1FLA1375_1
(DNA POLYMERASE III
SUBUNIT BETA)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 8 THR A 246
LEU A 250
ILE A 202
LEU A 253
None
0.89A 5g48A-2g28A:
undetectable
5g48A-2g28A:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_A_1GNA607_1
(PHIAB6 TAILSPIKE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
3 / 3 THR A 494
SER A 493
TYR A 696
None
0.79A 5jsdA-2g28A:
undetectable
5jsdA-2g28A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_B_1GNB618_1
(PHIAB6 TAILSPIKE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
3 / 3 THR A 494
SER A 493
TYR A 696
None
0.79A 5jsdB-2g28A:
undetectable
5jsdB-2g28A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_C_1GNC608_1
(PHIAB6 TAILSPIKE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
3 / 3 THR A 494
SER A 493
TYR A 696
None
0.79A 5jsdC-2g28A:
undetectable
5jsdC-2g28A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSE_A_1GNA608_1
(PHIAB6 TAILSPIKE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
3 / 3 THR A 494
SER A 493
TYR A 696
None
0.79A 5jseA-2g28A:
undetectable
5jseA-2g28A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSE_B_1GNB611_1
(PHIAB6 TAILSPIKE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
3 / 3 THR A 494
SER A 493
TYR A 696
None
0.78A 5jseB-2g28A:
undetectable
5jseB-2g28A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSE_C_1GNC611_1
(PHIAB6 TAILSPIKE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
3 / 3 THR A 494
SER A 493
TYR A 696
None
0.78A 5jseC-2g28A:
undetectable
5jseC-2g28A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.35A 5l5zV-2g28A:
undetectable
5l5zb-2g28A:
undetectable
5l5zV-2g28A:
13.96
5l5zb-2g28A:
12.47
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.
5L66_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.35A 5l66V-2g28A:
undetectable
5l66b-2g28A:
undetectable
5l66V-2g28A:
13.96
5l66b-2g28A:
12.47
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.
5L66_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 THR A 494
THR A 495
ARG A 838
GLY A 629
THR A 631
None
1.35A 5l66H-2g28A:
undetectable
5l66N-2g28A:
undetectable
5l66H-2g28A:
13.96
5l66N-2g28A:
12.47
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.
5LAK_I_BEZI1_0
(3CL PROTEASE
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
3 / 3 SER A 600
TYR A 599
TYR A 598
None
TDK  A 887 (-4.3A)
None
0.53A 5lakA-2g28A:
undetectable
5lakI-2g28A:
undetectable
5lakA-2g28A:
16.07
5lakI-2g28A:
0.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LAK_J_BEZJ1_0
(3CL PROTEASE
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
3 / 3 SER A 600
TYR A 599
TYR A 598
None
TDK  A 887 (-4.3A)
None
0.54A 5lakC-2g28A:
undetectable
5lakJ-2g28A:
undetectable
5lakC-2g28A:
16.07
5lakJ-2g28A:
0.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MRA_B_DM2B204_1
(SORCIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 6 THR A 762
ARG A 766
ASP A 767
GLY A 768
None
1.17A 5mraA-2g28A:
undetectable
5mraB-2g28A:
undetectable
5mraA-2g28A:
10.95
5mraB-2g28A:
10.95
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.
5NFJ_B_SAMB501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 531
ILE A 564
GLY A 536
LEU A 502
LEU A 515
None
1.03A 5nfjB-2g28A:
undetectable
5nfjB-2g28A:
12.46
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.
5NFJ_C_SAMC501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 531
ILE A 564
GLY A 536
LEU A 502
LEU A 515
None
1.02A 5nfjC-2g28A:
undetectable
5nfjC-2g28A:
12.46
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.
5TWJ_A_SAMA201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 531
ILE A 564
GLY A 536
LEU A 502
LEU A 515
None
1.00A 5twjA-2g28A:
undetectable
5twjA-2g28A:
10.06
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.
5TWJ_B_SAMB201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 10 LEU A 531
ILE A 564
GLY A 536
LEU A 502
LEU A 515
None
1.04A 5twjB-2g28A:
undetectable
5twjB-2g28A:
10.06
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.
5UMW_B_RBFB201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 7 VAL A 668
TYR A 714
GLU A 665
LEU A 764
None
1.20A 5umwB-2g28A:
undetectable
5umwE-2g28A:
undetectable
5umwB-2g28A:
7.62
5umwE-2g28A:
7.62
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.
5V5Z_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 TYR A 598
ILE A 518
TYR A 596
GLY A 621
HIS A 646
None
1.37A 5v5zA-2g28A:
undetectable
5v5zA-2g28A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_B_ACRB1471_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 ARG A 834
ASP A 659
GLY A 732
TYR A 803
THR A 825
None
1.05A 5x7pB-2g28A:
0.4
5x7pB-2g28A:
21.85
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.
6DGX_A_017A101_0
(PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLY A 573
ALA A 574
PRO A 594
VAL A 516
ILE A 518
None
0.85A 6dgxA-2g28A:
undetectable
6dgxA-2g28A:
7.89
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.
6DGX_A_017A101_0
(PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.84A 6dgxA-2g28A:
undetectable
6dgxA-2g28A:
7.89
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.
6DIF_B_TPVB201_1
(HIV-1 PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLY A 573
ALA A 574
PRO A 594
VAL A 516
ILE A 518
None
0.74A 6difB-2g28A:
undetectable
6difB-2g28A:
7.76
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.
6DIF_B_TPVB201_1
(HIV-1 PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
None
0.76A 6difB-2g28A:
undetectable
6difB-2g28A:
7.76
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.
6DIL_B_TPVB201_1
(HIV-1 PROTEASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 12 GLY A 573
ALA A 574
PRO A 594
VAL A 516
ILE A 518
None
0.79A 6dilB-2g28A:
undetectable
6dilB-2g28A:
6.86
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.
6EBZ_A_DAHA123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 PHE A 532
LEU A 531
GLY A 562
ILE A 537
ILE A 519
None
0.97A 6ebzA-2g28A:
undetectable
6ebzA-2g28A:
7.46
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.
6EBZ_C_DAHC123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 PHE A 532
LEU A 531
GLY A 562
ILE A 537
ILE A 519
None
1.02A 6ebzC-2g28A:
undetectable
6ebzC-2g28A:
7.46
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.
6GP2_A_DAHA126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 PHE A 532
LEU A 531
GLY A 562
ILE A 537
ILE A 519
None
0.97A 6gp2A-2g28A:
undetectable
6gp2A-2g28A:
9.15
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.
6GP2_B_DAHB126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
5 / 11 PHE A 532
LEU A 531
GLY A 562
ILE A 537
ILE A 519
None
0.99A 6gp2B-2g28A:
undetectable
6gp2B-2g28A:
9.15
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 8 ASP A 422
ILE A 420
ARG A 421
ASN A  88
None
1.23A 6hisA-2g28A:
2.1
6hisB-2g28A:
2.1
6hisA-2g28A:
6.41
6hisB-2g28A:
6.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 8 ASP A 422
ILE A 420
ARG A 421
ASN A  88
None
1.24A 6hisB-2g28A:
2.1
6hisC-2g28A:
2.1
6hisB-2g28A:
6.41
6hisC-2g28A:
6.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 8 ASP A 422
ILE A 420
ARG A 421
ASN A  88
None
1.24A 6hisC-2g28A:
2.1
6hisD-2g28A:
2.1
6hisC-2g28A:
6.41
6hisD-2g28A:
6.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 8 ASP A 422
ILE A 420
ARG A 421
ASN A  88
None
1.23A 6hisD-2g28A:
2.1
6hisE-2g28A:
2.1
6hisD-2g28A:
6.41
6hisE-2g28A:
6.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 8 ASN A  88
ASP A 422
ILE A 420
ARG A 421
None
1.25A 6hisA-2g28A:
2.1
6hisE-2g28A:
2.1
6hisA-2g28A:
6.41
6hisE-2g28A:
6.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_E_PCFE202_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL
CYTOCHROME C OXIDASE
SUBUNIT 1)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
4 / 8 GLN A 159
VAL A  93
ARG A  95
MET A  91
None
1.07A 6hu9a-2g28A:
undetectable
6hu9e-2g28A:
undetectable
6hu9a-2g28A:
18.54
6hu9e-2g28A:
9.52
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.
6NCS_A_ACTA303_0
(N-ACETYLNEURAMINIC
ACID (SIALIC ACID)
SYNTHETASE)
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli)
3 / 3 ILE A 439
THR A 440
PRO A 427
None
0.54A 6ncsA-2g28A:
undetectable
6ncsA-2g28A:
14.89