SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1h17'

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.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 8 GLY A 613
GLY A 617
LEU A 454
ASP A 451
None
0.85A 1aegA-1h17A:
undetectable
1aegA-1h17A:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 8 GLY A 613
LYS A 614
GLY A 617
ASP A 451
None
0.83A 1aegA-1h17A:
undetectable
1aegA-1h17A:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICU_A_NIOA221_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 SER A 280
THR A 281
PHE A 383
GLU A 336
None
0.99A 1icuA-1h17A:
0.0
1icuB-1h17A:
0.0
1icuA-1h17A:
15.09
1icuB-1h17A:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICU_B_NIOB219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 PHE A 383
GLU A 336
SER A 280
THR A 281
None
0.96A 1icuA-1h17A:
0.0
1icuB-1h17A:
0.0
1icuA-1h17A:
15.09
1icuB-1h17A:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICU_C_NIOC225_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 SER A 280
THR A 281
PHE A 383
GLU A 336
None
0.98A 1icuC-1h17A:
0.0
1icuD-1h17A:
0.0
1icuC-1h17A:
15.09
1icuD-1h17A:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KF6_N_ACTN803_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 ARG A 176
GLY A 525
ASP A 661
TYR A 490
OXM  A1001 (-3.7A)
None
None
None
0.82A 1kf6M-1h17A:
undetectable
1kf6N-1h17A:
0.0
1kf6M-1h17A:
22.42
1kf6N-1h17A:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_C_ACTC2294_0
(GLYCINE
N-METHYLTRANSFERASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 7 TRP A  11
TYR A 187
ASN A  21
TYR A 191
None
1.35A 1kiaC-1h17A:
0.6
1kiaC-1h17A:
18.60
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.
1KIA_D_ACTD3294_0
(GLYCINE
N-METHYLTRANSFERASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 7 TRP A  11
TYR A 187
ASN A  21
TYR A 191
None
1.34A 1kiaD-1h17A:
1.8
1kiaD-1h17A:
18.60
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.
1KQB_A_BEZA524_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 SER A 280
THR A 281
PHE A 383
GLU A 336
None
1.02A 1kqbA-1h17A:
0.0
1kqbB-1h17A:
0.0
1kqbA-1h17A:
14.42
1kqbB-1h17A:
14.42
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.
1KQB_C_BEZC522_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 SER A 280
THR A 281
PHE A 383
GLU A 336
None
0.99A 1kqbC-1h17A:
0.0
1kqbD-1h17A:
0.0
1kqbC-1h17A:
14.42
1kqbD-1h17A:
14.42
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.
1KQB_D_BEZD523_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 PHE A 383
GLU A 336
SER A 280
THR A 281
None
1.01A 1kqbC-1h17A:
0.0
1kqbD-1h17A:
0.0
1kqbC-1h17A:
14.42
1kqbD-1h17A:
14.42
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.
1N4F_A_ASRA140_0
(LYSOZYME C)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
3 / 3 ASN A 609
ALA A 527
ASN A 437
None
0.77A 1n4fA-1h17A:
0.0
1n4fA-1h17A:
10.85
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.
1NBH_B_ACTB1294_0
(GLYCINE
N-METHYLTRANSFERASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 7 TRP A  11
TYR A 187
ASN A  21
TYR A 191
None
1.35A 1nbhB-1h17A:
undetectable
1nbhB-1h17A:
18.60
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.
1NBH_D_ACTD3294_0
(GLYCINE
N-METHYLTRANSFERASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 7 TRP A  11
TYR A 187
ASN A  21
TYR A 191
None
1.36A 1nbhD-1h17A:
undetectable
1nbhD-1h17A:
18.60
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.
1P33_B_MTXB352_1
(PTERIDINE REDUCTASE
1)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 LEU A 705
TYR A 665
LEU A 685
LEU A 674
MET A 759
None
1.29A 1p33B-1h17A:
0.0
1p33B-1h17A:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P33_C_MTXC353_1
(PTERIDINE REDUCTASE
1)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 LEU A 705
TYR A 665
LEU A 685
LEU A 674
MET A 759
None
1.34A 1p33C-1h17A:
undetectable
1p33C-1h17A:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
None
None
None
None
PG4  A9013 (-3.9A)
1.09A 1pxxC-1h17A:
0.0
1pxxC-1h17A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QVU_A_PRLA196_0
(TRANSCRIPTIONAL
REGULATOR QACR)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 LEU A  43
GLU A 298
THR A  34
TYR A  36
PG4  A9011 (-4.5A)
None
None
None
1.07A 1qvuA-1h17A:
3.5
1qvuA-1h17A:
13.95
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.
1SQF_A_SAMA430_1
(SUN PROTEIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
3 / 3 PRO A 635
ASP A 534
ASP A 574
None
0.80A 1sqfA-1h17A:
undetectable
1sqfA-1h17A:
20.48
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.
2E5D_A_NCAA1501_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 7 ARG A 595
ALA A 508
ASP A 502
TYR A 506
None
1.18A 2e5dA-1h17A:
1.2
2e5dB-1h17A:
1.4
2e5dA-1h17A:
21.11
2e5dB-1h17A:
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.
2E5D_B_NCAB1502_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 7 ASP A 502
TYR A 506
ARG A 595
ALA A 508
None
1.17A 2e5dA-1h17A:
undetectable
2e5dB-1h17A:
undetectable
2e5dA-1h17A:
21.11
2e5dB-1h17A:
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.
2HRE_D_CHDD702_0
(FERROCHELATASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
3 / 3 ARG A 639
GLY A 630
PRO A 631
None
0.73A 2hreD-1h17A:
0.0
2hreD-1h17A:
20.00
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.
2JN3_A_JN3A130_2
(FATTY ACID-BINDING
PROTEIN, LIVER)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 7 PHE A 557
LEU A 470
ARG A 583
GLU A 452
None
0.94A 2jn3A-1h17A:
undetectable
2jn3A-1h17A:
11.98
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.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
3 / 3 ASP A 403
ASN A 401
THR A 372
None
0.66A 2pymB-1h17A:
0.0
2pymB-1h17A:
10.01
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.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
3 / 3 ASP A 403
ASN A 401
THR A 372
None
0.70A 2q63B-1h17A:
0.0
2q63B-1h17A:
9.27
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.
2VXA_A_RBFA200_1
(DODECIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 8 TYR A 735
ARG A 176
HIS A 704
GLN A 703
None
OXM  A1001 (-3.7A)
None
None
1.32A 2vxaA-1h17A:
0.0
2vxaC-1h17A:
0.0
2vxaE-1h17A:
0.0
2vxaA-1h17A:
7.57
2vxaC-1h17A:
7.57
2vxaE-1h17A:
7.57
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.
2VXA_B_RBFB200_1
(DODECIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 8 ARG A 176
TYR A 735
HIS A 704
GLN A 703
OXM  A1001 (-3.7A)
None
None
None
1.36A 2vxaA-1h17A:
0.0
2vxaB-1h17A:
0.0
2vxaK-1h17A:
0.0
2vxaA-1h17A:
7.57
2vxaB-1h17A:
7.57
2vxaK-1h17A:
7.57
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.
2VXA_C_RBFC200_1
(DODECIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 8 ARG A 176
TYR A 735
HIS A 704
GLN A 703
OXM  A1001 (-3.7A)
None
None
None
1.35A 2vxaB-1h17A:
0.0
2vxaC-1h17A:
0.0
2vxaG-1h17A:
0.0
2vxaB-1h17A:
7.57
2vxaC-1h17A:
7.57
2vxaG-1h17A:
7.57
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.
2VXA_D_RBFD200_1
(DODECIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 8 TYR A 735
ARG A 176
HIS A 704
GLN A 703
None
OXM  A1001 (-3.7A)
None
None
1.36A 2vxaD-1h17A:
0.0
2vxaF-1h17A:
0.0
2vxaI-1h17A:
0.0
2vxaD-1h17A:
7.57
2vxaF-1h17A:
7.57
2vxaI-1h17A:
7.57
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.
2VXA_E_RBFE200_1
(DODECIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 8 ARG A 176
TYR A 735
HIS A 704
GLN A 703
OXM  A1001 (-3.7A)
None
None
None
1.36A 2vxaD-1h17A:
0.0
2vxaE-1h17A:
0.0
2vxaL-1h17A:
0.0
2vxaD-1h17A:
7.57
2vxaE-1h17A:
7.57
2vxaL-1h17A:
7.57
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.
2VXA_H_RBFH200_1
(DODECIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 8 HIS A 704
GLN A 703
ARG A 176
TYR A 735
None
None
OXM  A1001 (-3.7A)
None
1.36A 2vxaB-1h17A:
0.0
2vxaG-1h17A:
0.0
2vxaH-1h17A:
0.0
2vxaB-1h17A:
7.57
2vxaG-1h17A:
7.57
2vxaH-1h17A:
7.57
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.
2VXA_I_RBFI200_1
(DODECIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 8 ARG A 176
TYR A 735
HIS A 704
GLN A 703
OXM  A1001 (-3.7A)
None
None
None
1.34A 2vxaH-1h17A:
0.0
2vxaI-1h17A:
0.0
2vxaJ-1h17A:
0.0
2vxaH-1h17A:
7.57
2vxaI-1h17A:
7.57
2vxaJ-1h17A:
7.57
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.
2VXA_J_RBFJ200_1
(DODECIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 8 HIS A 704
GLN A 703
TYR A 735
ARG A 176
None
None
None
OXM  A1001 (-3.7A)
1.35A 2vxaD-1h17A:
0.0
2vxaJ-1h17A:
0.0
2vxaL-1h17A:
0.0
2vxaD-1h17A:
7.57
2vxaJ-1h17A:
7.57
2vxaL-1h17A:
7.57
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.
2VXA_K_RBFK200_1
(DODECIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 8 HIS A 704
GLN A 703
ARG A 176
TYR A 735
None
None
OXM  A1001 (-3.7A)
None
1.34A 2vxaH-1h17A:
0.0
2vxaJ-1h17A:
0.0
2vxaK-1h17A:
0.0
2vxaH-1h17A:
7.57
2vxaJ-1h17A:
7.57
2vxaK-1h17A:
7.57
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.
2VXA_L_RBFL200_1
(DODECIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 8 HIS A 704
GLN A 703
ARG A 176
TYR A 735
None
None
OXM  A1001 (-3.7A)
None
1.35A 2vxaA-1h17A:
0.0
2vxaK-1h17A:
0.0
2vxaL-1h17A:
0.0
2vxaA-1h17A:
7.57
2vxaK-1h17A:
7.57
2vxaL-1h17A:
7.57
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.
2WA2_B_SAMB1267_1
(NON-STRUCTURAL
PROTEIN 5)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
3 / 3 SER A  79
HIS A 144
ASP A 502
None
0.61A 2wa2B-1h17A:
undetectable
2wa2B-1h17A:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y00_A_Y00A601_1
(BETA-1 ADRENERGIC
RECEPTOR)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 ASP A 749
VAL A 750
SER A 668
ASN A 634
ASN A 609
None
1.48A 2y00A-1h17A:
undetectable
2y00A-1h17A:
16.71
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.
3BWM_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 ASN A 437
VAL A 164
TYR A 612
ILE A 555
ASN A 618
None
1.40A 3bwmA-1h17A:
undetectable
3bwmA-1h17A:
15.87
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.
3D2T_A_1FLA502_1
(TRANSTHYRETIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 7 ALA A 633
LEU A 604
SER A 602
VAL A 651
None
0.99A 3d2tA-1h17A:
undetectable
3d2tA-1h17A:
11.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D2T_B_1FLB500_1
(TRANSTHYRETIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 ALA A 633
LEU A 604
SER A 602
VAL A 651
None
1.00A 3d2tB-1h17A:
undetectable
3d2tB-1h17A:
11.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
3 / 3 ARG A  26
THR A 258
THR A 350
None
0.79A 3k2hB-1h17A:
undetectable
3k2hB-1h17A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K9F_F_LFXF0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 5 SER A 602
ARG A 174
GLY A 175
GLU A 507
None
1.01A 3k9fA-1h17A:
0.0
3k9fB-1h17A:
0.0
3k9fC-1h17A:
undetectable
3k9fA-1h17A:
22.45
3k9fB-1h17A:
22.45
3k9fC-1h17A:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K9F_H_LFXH0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 SER A 602
ARG A 174
GLY A 175
GLU A 507
None
1.01A 3k9fA-1h17A:
0.0
3k9fB-1h17A:
0.0
3k9fD-1h17A:
undetectable
3k9fA-1h17A:
22.45
3k9fB-1h17A:
22.45
3k9fD-1h17A:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 TYR A 399
GLY A 734
ALA A 736
THR A 729
ILE A 392
None
1.34A 3ld6A-1h17A:
0.0
3ld6A-1h17A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 11 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
None
None
None
None
PG4  A9013 (-3.9A)
1.10A 3n8yA-1h17A:
0.0
3n8yA-1h17A:
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.
3NT1_B_NPSB4_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 LEU A 705
GLY A 643
ALA A 644
SER A 647
LEU A 648
None
None
None
None
PG4  A9013 (-3.9A)
1.06A 3nt1B-1h17A:
0.6
3nt1B-1h17A:
20.76
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.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 LEU A 604
THR A 616
ALA A 523
ILE A 588
ALA A 487
None
1.18A 3nxuB-1h17A:
0.0
3nxuB-1h17A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_B_ADNB353_1
(ADENOSINE KINASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.09A 3uboB-1h17A:
undetectable
3uboB-1h17A:
19.37
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.
4ACB_C_DXCC1478_0
(TRANSLATION
ELONGATION FACTOR
SELB)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 ASP A 306
ILE A 255
THR A 359
PHE A 356
None
0.84A 4acbC-1h17A:
undetectable
4acbC-1h17A:
21.50
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.
4E3A_A_ADNA500_1
(SUGAR KINASE PROTEIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.04A 4e3aA-1h17A:
undetectable
4e3aA-1h17A:
20.71
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
3 / 3 ARG A 731
TYR A 725
ASN A  65
None
0.96A 4ffwB-1h17A:
0.0
4ffwB-1h17A:
20.84
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.
4G2Z_A_ID8A711_1
(LACTOTRANSFERRIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
3 / 3 PRO A 321
TYR A 125
GLY A 120
None
DTL  A9010 (-4.5A)
None
0.70A 4g2zA-1h17A:
undetectable
4g2zA-1h17A:
18.41
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.
4JKU_B_ADNB500_1
(PROBABLE SUGAR
KINASE PROTEIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.08A 4jkuB-1h17A:
undetectable
4jkuB-1h17A:
20.71
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.
4K8P_A_ADNA401_1
(SUGAR KINASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.06A 4k8pA-1h17A:
undetectable
4k8pA-1h17A:
20.71
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.
4K8P_B_ADNB401_1
(SUGAR KINASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.05A 4k8pB-1h17A:
undetectable
4k8pB-1h17A:
20.71
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.
4K8T_A_ADNA401_1
(SUGAR KINASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.06A 4k8tA-1h17A:
undetectable
4k8tA-1h17A:
20.71
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.
4K8T_B_ADNB401_1
(SUGAR KINASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.06A 4k8tB-1h17A:
undetectable
4k8tB-1h17A:
20.71
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.
4K93_A_ADNA401_1
(SUGAR KINASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.05A 4k93A-1h17A:
undetectable
4k93A-1h17A:
20.71
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.
4K93_B_ADNB402_1
(SUGAR KINASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.05A 4k93B-1h17A:
undetectable
4k93B-1h17A:
20.71
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.
4K9C_A_ADNA401_1
(SUGAR KINASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.05A 4k9cA-1h17A:
undetectable
4k9cA-1h17A:
20.71
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.
4K9C_B_ADNB401_1
(SUGAR KINASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.05A 4k9cB-1h17A:
undetectable
4k9cB-1h17A:
20.71
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.
4K9I_A_ADNA401_1
(SUGAR KINASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.06A 4k9iA-1h17A:
undetectable
4k9iA-1h17A:
20.71
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.
4K9I_B_ADNB401_1
(SUGAR KINASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.06A 4k9iB-1h17A:
undetectable
4k9iB-1h17A:
20.71
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.
4KAD_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.07A 4kadA-1h17A:
undetectable
4kadA-1h17A:
20.71
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.
4KAD_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.07A 4kadB-1h17A:
undetectable
4kadB-1h17A:
20.71
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.
4LBX_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.06A 4lbxA-1h17A:
undetectable
4lbxA-1h17A:
20.71
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.
4LBX_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.06A 4lbxB-1h17A:
undetectable
4lbxB-1h17A:
20.71
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.
4LC4_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.06A 4lc4A-1h17A:
undetectable
4lc4A-1h17A:
20.71
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.
4LC4_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
None
1.05A 4lc4B-1h17A:
undetectable
4lc4B-1h17A:
20.71
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.
4N09_A_ADNA401_1
(ADENOSINE KINASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 LEU A 674
GLY A 643
ALA A 673
GLY A 638
ASP A 640
None
1.06A 4n09A-1h17A:
undetectable
4n09A-1h17A:
20.21
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.
4NED_A_PFNA709_1
(LACTOTRANSFERRIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 VAL A 610
ASP A 749
SER A 733
PHE A 739
None
1.21A 4nedA-1h17A:
undetectable
4nedA-1h17A:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLA_A_IPHA901_0
(PROTEIN ARGONAUTE-2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 5 TYR A  36
LYS A 351
LEU A  43
GLU A 298
None
None
PG4  A9011 (-4.5A)
None
1.50A 4olaA-1h17A:
1.1
4olaA-1h17A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRW_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 LEU A 283
SER A 280
MET A 304
VAL A 305
LEU A 312
None
1.09A 4rrwA-1h17A:
0.0
4rrwA-1h17A:
20.76
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.
4RRW_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
None
None
None
None
PG4  A9013 (-3.9A)
1.08A 4rrwA-1h17A:
0.0
4rrwA-1h17A:
20.76
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.
4RRW_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 LEU A 283
SER A 280
MET A 304
VAL A 305
LEU A 312
None
1.11A 4rrwB-1h17A:
0.0
4rrwB-1h17A:
20.76
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.
4RRW_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
None
None
None
None
PG4  A9013 (-3.9A)
1.11A 4rrwB-1h17A:
0.0
4rrwB-1h17A:
20.76
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.
4RRW_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
None
None
None
None
PG4  A9013 (-3.9A)
1.09A 4rrwC-1h17A:
undetectable
4rrwC-1h17A:
20.76
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.
4RRZ_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 LEU A 283
SER A 280
MET A 304
VAL A 305
LEU A 312
None
1.09A 4rrzA-1h17A:
0.0
4rrzA-1h17A:
20.76
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.
4RRZ_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
None
None
None
None
PG4  A9013 (-3.9A)
1.08A 4rrzA-1h17A:
0.0
4rrzA-1h17A:
20.76
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.
4RRZ_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 LEU A 283
SER A 280
MET A 304
VAL A 305
LEU A 312
None
1.11A 4rrzB-1h17A:
0.0
4rrzB-1h17A:
20.76
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.
4RRZ_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
None
None
None
None
PG4  A9013 (-3.9A)
1.11A 4rrzB-1h17A:
0.0
4rrzB-1h17A:
20.76
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.
4RRZ_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
None
None
None
None
PG4  A9013 (-3.9A)
1.09A 4rrzC-1h17A:
undetectable
4rrzC-1h17A:
20.76
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.
4XMF_A_HSMA202_1
(NITROPHORIN-7)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
3 / 3 ASP A 402
LEU A 343
GLY A 342
None
0.54A 4xmfA-1h17A:
0.0
4xmfA-1h17A:
14.00
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.
4YB6_C_HISC302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 10 GLY A 459
VAL A 458
THR A 441
LEU A 486
SER A 162
None
1.36A 4yb6C-1h17A:
0.0
4yb6F-1h17A:
0.0
4yb6C-1h17A:
17.40
4yb6F-1h17A:
17.40
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.
4Z3O_F_MFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE
E-SITE DNA)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 5 ARG A 174
GLY A 175
GLU A 507
SER A 602
None
1.03A 4z3oA-1h17A:
undetectable
4z3oB-1h17A:
undetectable
4z3oA-1h17A:
23.67
4z3oB-1h17A:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_B_SORB1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 7 ARG A 346
ARG A 278
ILE A  29
TYR A  33
None
1.25A 5a06B-1h17A:
undetectable
5a06B-1h17A:
18.73
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.
5CDQ_V_MFXV2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 5 SER A 602
ARG A 174
GLY A 175
GLU A 507
None
0.90A 5cdqR-1h17A:
0.6
5cdqS-1h17A:
0.8
5cdqT-1h17A:
0.0
5cdqR-1h17A:
20.37
5cdqS-1h17A:
13.96
5cdqT-1h17A:
20.37
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.
5ESE_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 8 TYR A 665
LEU A 705
ILE A 663
GLY A 701
None
None
None
NA  A9001 (-4.8A)
0.83A 5eseA-1h17A:
0.0
5eseA-1h17A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EWU_A_BEZA1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 GLY A 528
SER A 530
VAL A 531
HIS A 637
None
1.02A 5ewuA-1h17A:
1.0
5ewuA-1h17A:
18.86
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.
5EWU_B_BEZB1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 GLY A 528
SER A 530
VAL A 531
HIS A 637
None
1.03A 5ewuB-1h17A:
undetectable
5ewuB-1h17A:
18.86
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.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
None
None
None
None
PG4  A9013 (-3.9A)
1.09A 5ikrA-1h17A:
0.1
5ikrA-1h17A:
20.41
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.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
None
None
None
None
PG4  A9013 (-3.9A)
1.14A 5jvzB-1h17A:
0.0
5jvzB-1h17A:
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.
5KIR_B_RCXB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
None
None
None
None
PG4  A9013 (-3.9A)
1.02A 5kirB-1h17A:
0.0
5kirB-1h17A:
20.41
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
3 / 3 VAL A 750
ARG A  66
PRO A 722
None
0.76A 5koxA-1h17A:
0.0
5koxA-1h17A:
21.72
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
3 / 3 LYS A 194
GLN A  20
ASN A  21
None
0.93A 5l2tA-1h17A:
0.0
5l2tA-1h17A:
18.50
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.
5NKN_A_LOCA201_1
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 GLY A 630
PHE A 629
MET A 483
LEU A 536
THR A 619
None
1.36A 5nknA-1h17A:
0.0
5nknA-1h17A:
7.80
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 LEU A 529
SER A 530
PHE A 566
ASP A 534
None
1.12A 5om3A-1h17A:
0.0
5om3B-1h17A:
0.0
5om3A-1h17A:
9.87
5om3B-1h17A:
7.17
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.
6B5V_B_ECLB1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 7 ALA A 625
ILE A 446
LEU A 443
ILE A 559
None
0.86A 6b5vA-1h17A:
undetectable
6b5vB-1h17A:
undetectable
6b5vA-1h17A:
7.95
6b5vB-1h17A:
7.95
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.
6BZO_C_FI8C1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
RNA POLYMERASE SIGMA
FACTOR SIGA)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 4 LEU A 343
ASP A 344
GLN A  30
VAL A 420
None
1.21A 6bzoF-1h17A:
0.0
6bzoF-1h17A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C06_D_FI8D1404_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
3 / 3 ARG A 681
LYS A 389
ARG A 313
None
1.31A 6c06D-1h17A:
1.3
6c06D-1h17A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7L_A_Y00A406_1
(BETA-1 ADRENERGIC
RECEPTOR)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 GLY A 339
LEU A 374
VAL A 285
PHE A  28
None
1.04A 6h7lA-1h17A:
1.0
6h7lA-1h17A:
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.
6H7L_B_Y00B405_1
(BETA-1 ADRENERGIC
RECEPTOR)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
4 / 6 GLY A 339
LEU A 374
VAL A 285
PHE A  28
None
1.04A 6h7lB-1h17A:
1.0
6h7lB-1h17A:
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.
6MD4_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli)
5 / 12 PHE A 656
GLY A 702
GLN A 703
ILE A 699
TYR A 414
None
NA  A9001 ( 4.7A)
None
None
None
1.16A 6md4A-1h17A:
0.0
6md4A-1h17A:
6.89