SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5edu'

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.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 HIS B 611
HIS B 651
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
0.89A 1c3sA-5eduB:
41.2
1c3sA-5eduB:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
10 / 11 PRO B 501
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
0.60A 1c3sA-5eduB:
41.2
1c3sA-5eduB:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E06_A_IPBA600_0
(ODORANT-BINDING
PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 6 VAL B 116
VAL B 158
ILE B 168
ASN B 375
None
0.68A 1e06A-5eduB:
undetectable
1e06A-5eduB:
11.85
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.
1FDU_C_ESTC353_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 GLY B 758
LEU B 762
TYR B 759
GLY B 711
VAL B 723
None
1.15A 1fduC-5eduB:
4.7
1fduC-5eduB:
19.51
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.
1FDU_C_ESTC353_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 SER B 755
GLY B 758
LEU B 762
GLY B 711
VAL B 723
None
1.23A 1fduC-5eduB:
4.7
1fduC-5eduB:
19.51
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.
1LHV_A_NOGA301_1
(SEX HORMONE-BINDING
GLOBULIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 8 SER B 363
THR B 333
ASN B 258
LEU B 355
None
1.07A 1lhvA-5eduB:
undetectable
1lhvA-5eduB:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA442_1
(ALPHA AMYLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 GLY B 653
GLY B 609
GLY B 740
GLY B 780
ASP B 742
None
None
None
TSN  B2501 ( 4.0A)
ZN  B2502 ( 2.7A)
1.11A 1mxgA-5eduB:
undetectable
1mxgA-5eduB:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
9 / 12 HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
0.41A 1t69A-5eduB:
41.7
1t69A-5eduB:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.17A 1zz1A-5eduB:
49.0
1zz1A-5eduB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
9 / 11 HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.47A 1zz1A-5eduB:
49.0
1zz1A-5eduB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.26A 1zz1A-5eduB:
49.0
1zz1A-5eduB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
9 / 11 ILE B 569
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
None
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.33A 1zz1A-5eduB:
49.0
1zz1A-5eduB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.20A 1zz1B-5eduB:
49.6
1zz1C-5eduB:
49.4
1zz1B-5eduB:
21.60
1zz1C-5eduB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
9 / 12 HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.41A 1zz1B-5eduB:
49.6
1zz1C-5eduB:
49.4
1zz1B-5eduB:
21.60
1zz1C-5eduB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 ILE B 569
HIS B 610
HIS B 611
ASP B 649
GLY B 780
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
TSN  B2501 ( 4.0A)
1.11A 1zz1B-5eduB:
49.6
1zz1C-5eduB:
49.4
1zz1B-5eduB:
21.60
1zz1C-5eduB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
7 / 12 ASP B 567
HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 780
TYR B 782
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.05A 1zz1C-5eduB:
49.4
1zz1C-5eduB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
9 / 12 HIS B 610
HIS B 611
GLY B 619
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.45A 1zz1C-5eduB:
49.4
1zz1C-5eduB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
9 / 12 ILE B 569
HIS B 610
HIS B 611
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.16A 1zz1C-5eduB:
49.4
1zz1C-5eduB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
8 / 9 HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
0.46A 1zz1D-5eduB:
49.2
1zz1D-5eduB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
7 / 9 ILE B 569
HIS B 610
HIS B 611
ASP B 649
HIS B 651
ASP B 742
TYR B 782
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
0.97A 1zz1D-5eduB:
49.2
1zz1D-5eduB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 THR B 201
GLN B 433
ALA B 432
ALA B 411
ALA B 409
None
1.16A 2f16H-5eduB:
undetectable
2f16I-5eduB:
undetectable
2f16H-5eduB:
15.05
2f16I-5eduB:
13.42
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.
2F16_V_BO2V1401_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 THR B 201
GLN B 433
ALA B 432
ALA B 411
ALA B 409
None
1.15A 2f16V-5eduB:
undetectable
2f16W-5eduB:
undetectable
2f16V-5eduB:
15.05
2f16W-5eduB:
13.42
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 8 VAL B 646
VAL B 737
LEU B 766
THR B 763
None
0.88A 2gehA-5eduB:
undetectable
2gehA-5eduB:
14.21
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.
2Y69_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
3 / 3 HIS B 651
HIS B 611
HIS B 610
ZN  B2502 (-3.2A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.8A)
0.77A 2y69N-5eduB:
undetectable
2y69N-5eduB:
21.57
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.
2ZXW_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
3 / 3 HIS B 651
HIS B 611
HIS B 610
ZN  B2502 (-3.2A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.8A)
0.77A 2zxwN-5eduB:
undetectable
2zxwN-5eduB:
21.57
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.
3A25_A_SAMA279_1
(UNCHARACTERIZED
PROTEIN PH0793)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
3 / 3 MET B 489
GLU B 502
ASP B 742
None
None
ZN  B2502 ( 2.7A)
0.97A 3a25A-5eduB:
3.5
3a25A-5eduB:
19.03
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.
3A35_A_RBFA191_1
(LUMAZINE PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 LEU B 300
THR B 301
ALA B 454
THR B 453
ILE B 456
None
1.18A 3a35A-5eduB:
undetectable
3a35A-5eduB:
13.71
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.
3A35_B_RBFB191_1
(LUMAZINE PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 LEU B 300
THR B 301
ALA B 454
THR B 453
ILE B 456
None
1.20A 3a35B-5eduB:
undetectable
3a35B-5eduB:
13.71
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.
3A3B_A_RBFA191_1
(LUMAZINE PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 LEU B 300
THR B 301
ALA B 454
THR B 453
ILE B 456
None
1.20A 3a3bA-5eduB:
undetectable
3a3bA-5eduB:
13.71
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.
3ABM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
3 / 3 HIS B 651
HIS B 611
HIS B 610
ZN  B2502 (-3.2A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.8A)
0.75A 3abmN-5eduB:
undetectable
3abmN-5eduB:
21.57
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.
3BJW_C_SVRC507_1
(PHOSPHOLIPASE A2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 7 VAL B 218
GLY B 408
PRO B 337
LYS B 413
None
0.69A 3bjwC-5eduB:
undetectable
3bjwC-5eduB:
10.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 5 HIS B 610
HIS B 611
ASP B 649
HIS B 651
ASP B 742
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
0.24A 3c0zA-5eduB:
55.2
3c0zA-5eduB:
28.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
8 / 8 HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
0.34A 3c0zB-5eduB:
54.9
3c0zB-5eduB:
28.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 8 PHE B 680
ASP B 742
PHE B 620
ASP B 649
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
0.82A 3c0zB-5eduB:
54.9
3c0zB-5eduB:
28.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 6 ASP B 567
HIS B 610
HIS B 611
ASP B 649
HIS B 651
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
1.33A 3c0zC-5eduB:
54.8
3c0zC-5eduB:
28.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 6 HIS B 610
HIS B 611
ASP B 649
HIS B 651
ASP B 742
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
0.26A 3c0zC-5eduB:
54.8
3c0zC-5eduB:
28.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CO4_A_GCSA401_1
(CHITINASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
3 / 3 GLU B 613
HIS B 610
HIS B 652
None
TSN  B2501 (-3.8A)
None
0.71A 3co4A-5eduB:
undetectable
3co4A-5eduB:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB150_0
(ILEAL BILE
ACID-BINDING PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 TRP B 648
VAL B 604
VAL B 735
LEU B 766
THR B 763
None
1.42A 3elzB-5eduB:
undetectable
3elzB-5eduB:
11.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_C_CHDC150_0
(ILEAL BILE
ACID-BINDING PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 TRP B 648
VAL B 604
VAL B 735
LEU B 766
THR B 763
None
1.39A 3elzC-5eduB:
undetectable
3elzC-5eduB:
11.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 ALA B 531
ASN B 624
GLU B 535
ILE B 777
THR B 532
None
1.13A 3fl9G-5eduB:
undetectable
3fl9G-5eduB:
11.24
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.
3HS6_A_EPAA1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 VAL B 451
GLY B 295
ALA B 296
LEU B 300
LEU B 268
None
1.05A 3hs6A-5eduB:
undetectable
3hs6A-5eduB:
22.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
10 / 12 ASP B 122
LYS B 123
LYS B 150
GLU B 152
GLU B 153
ALA B 171
ASP B 173
GLU B 219
PRO B 262
TRP B 338
MAL  B2505 (-3.2A)
MAL  B2505 (-2.9A)
None
None
None
MAL  B2505 (-3.3A)
MAL  B2505 (-2.7A)
MAL  B2505 (-3.2A)
MAL  B2505 (-3.7A)
MAL  B2505 ( 4.6A)
0.57A 3jyrA-5eduB:
60.0
3jyrA-5eduB:
47.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
7 / 7 ASN B 120
TRP B 170
GLU B 261
TYR B 263
MET B 438
TRP B 448
ARG B 452
MAL  B2505 (-4.4A)
MAL  B2505 (-4.3A)
MAL  B2505 (-3.4A)
MAL  B2505 (-4.1A)
MAL  B2505 ( 4.5A)
MAL  B2505 (-3.8A)
None
0.36A 3jyrA-5eduB:
60.0
3jyrA-5eduB:
47.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Y_B_DIFB585_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 VAL B 304
LEU B 268
GLY B 295
ALA B 296
LEU B 469
None
1.00A 3n8yB-5eduB:
undetectable
3n8yB-5eduB:
22.27
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.
3UCJ_A_AZMA229_1
(CARBONIC ANHYDRASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 10 ASP B 647
VAL B 737
GLY B 740
ALA B 739
THR B 763
K  B2504 (-3.3A)
None
None
None
None
1.23A 3ucjA-5eduB:
3.2
3ucjA-5eduB:
14.86
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.
3VWQ_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 ALA B 339
TYR B 125
TYR B 318
ASN B 342
GLY B 336
None
1.36A 3vwqA-5eduB:
undetectable
3vwqA-5eduB:
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.
3VYW_A_SAMA501_1
(MNMC2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 6 GLU B 416
ASP B 422
ASP B 395
ASN B 402
None
1.26A 3vywA-5eduB:
4.6
3vywA-5eduB:
16.96
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.
3VYW_D_SAMD401_1
(MNMC2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 5 GLU B 416
ASP B 422
ASP B 395
ASN B 402
None
1.25A 3vywD-5eduB:
4.9
3vywD-5eduB:
16.96
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.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 10 HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.33A 4bz6A-5eduB:
40.9
4bz6A-5eduB:
19.03
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.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
8 / 10 HIS B 610
HIS B 611
ASP B 649
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.37A 4bz6A-5eduB:
40.9
4bz6A-5eduB:
19.03
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.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 10 HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.24A 4bz6A-5eduB:
40.9
4bz6A-5eduB:
19.03
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.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 10 HIS B 611
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.27A 4bz6A-5eduB:
40.9
4bz6A-5eduB:
19.03
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.33A 4bz6A-5eduB:
40.9
4bz6B-5eduB:
40.8
4bz6A-5eduB:
19.03
4bz6B-5eduB:
19.03
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
9 / 12 HIS B 610
HIS B 611
ASP B 649
HIS B 651
PHE B 680
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.41A 4bz6A-5eduB:
40.9
4bz6B-5eduB:
40.8
4bz6A-5eduB:
19.03
4bz6B-5eduB:
19.03
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.23A 4bz6A-5eduB:
40.9
4bz6B-5eduB:
40.8
4bz6A-5eduB:
19.03
4bz6B-5eduB:
19.03
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 12 HIS B 611
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.23A 4bz6A-5eduB:
40.9
4bz6B-5eduB:
40.8
4bz6A-5eduB:
19.03
4bz6B-5eduB:
19.03
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.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
10 / 12 HIS B 610
HIS B 611
GLY B 619
ASP B 649
HIS B 651
PHE B 680
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.47A 4bz6C-5eduB:
40.9
4bz6C-5eduB:
19.03
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.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.23A 4bz6C-5eduB:
40.9
4bz6C-5eduB:
19.03
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.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 12 HIS B 611
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.26A 4bz6C-5eduB:
40.9
4bz6C-5eduB:
19.03
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.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 10 HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.32A 4bz6D-5eduB:
41.1
4bz6D-5eduB:
19.03
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.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
8 / 10 HIS B 610
HIS B 611
ASP B 649
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.38A 4bz6D-5eduB:
41.1
4bz6D-5eduB:
19.03
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.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 10 HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.24A 4bz6D-5eduB:
41.1
4bz6D-5eduB:
19.03
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.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 10 HIS B 611
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.27A 4bz6D-5eduB:
41.1
4bz6D-5eduB:
19.03
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.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 12 ASP B 567
HIS B 610
HIS B 611
GLY B 619
ASP B 649
HIS B 651
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
1.31A 4lxzA-5eduB:
43.8
4lxzA-5eduB:
18.89
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.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
11 / 12 HIS B 500
PRO B 501
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 ( 4.4A)
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.47A 4lxzA-5eduB:
43.8
4lxzA-5eduB:
18.89
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.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 PRO B 501
HIS B 610
HIS B 651
ASP B 742
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
1.12A 4lxzA-5eduB:
43.8
4lxzA-5eduB:
18.89
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.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 PRO B 607
HIS B 651
GLY B 619
ASP B 742
GLY B 780
None
ZN  B2502 (-3.2A)
TSN  B2501 ( 3.8A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
1.17A 4lxzA-5eduB:
43.8
4lxzA-5eduB:
18.89
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.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 ASP B 567
HIS B 610
HIS B 611
ASP B 649
HIS B 651
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
1.06A 4lxzB-5eduB:
43.7
4lxzB-5eduB:
18.89
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.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 HIS B 500
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 ( 4.4A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.23A 4lxzB-5eduB:
43.7
4lxzB-5eduB:
18.89
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.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
10 / 11 HIS B 500
PRO B 501
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 ( 4.4A)
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.46A 4lxzB-5eduB:
43.7
4lxzB-5eduB:
18.89
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.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.39A 4lxzB-5eduB:
43.7
4lxzB-5eduB:
18.89
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.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 PRO B 501
HIS B 610
HIS B 651
ASP B 742
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
1.14A 4lxzB-5eduB:
43.7
4lxzB-5eduB:
18.89
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.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
7 / 12 ASP B 567
HIS B 610
HIS B 611
GLY B 619
ASP B 649
HIS B 651
PHE B 680
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
1.43A 4lxzC-5eduB:
43.7
4lxzC-5eduB:
18.89
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.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 HIS B 611
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.03A 4lxzC-5eduB:
43.7
4lxzC-5eduB:
18.89
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.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
11 / 12 PRO B 501
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.41A 4lxzC-5eduB:
43.7
4lxzC-5eduB:
18.89
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.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 PRO B 501
HIS B 610
HIS B 651
ASP B 742
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
1.12A 4lxzC-5eduB:
43.7
4lxzC-5eduB:
18.89
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.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 PRO B 607
HIS B 651
GLY B 619
ASP B 742
GLY B 780
None
ZN  B2502 (-3.2A)
TSN  B2501 ( 3.8A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
1.15A 4lxzC-5eduB:
43.7
4lxzC-5eduB:
18.89
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.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 9 ALA B 372
ALA B 213
LEU B 211
LEU B 370
VAL B 369
None
1.14A 4or0B-5eduB:
undetectable
4or0B-5eduB:
20.95
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.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.35A 4qa0A-5eduB:
42.2
4qa0A-5eduB:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
10 / 12 HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.42A 4qa0A-5eduB:
42.2
4qa0A-5eduB:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.24A 4qa0A-5eduB:
42.2
4qa0A-5eduB:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 HIS B 611
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.97A 4qa0A-5eduB:
42.2
4qa0A-5eduB:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.34A 4qa0B-5eduB:
42.2
4qa0B-5eduB:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
9 / 11 HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.45A 4qa0B-5eduB:
42.2
4qa0B-5eduB:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.26A 4qa0B-5eduB:
42.2
4qa0B-5eduB:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 HIS B 610
PHE B 620
HIS B 651
ASP B 742
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
1.19A 4qa0B-5eduB:
42.2
4qa0B-5eduB:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 HIS B 611
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.98A 4qa0B-5eduB:
42.2
4qa0B-5eduB:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 HIS B 651
PHE B 680
ASP B 742
GLY B 781
TYR B 782
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.27A 4qa0B-5eduB:
42.2
4qa0B-5eduB:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
10 / 12 HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.40A 4qa2A-5eduB:
41.8
4qa2A-5eduB:
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.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.24A 4qa2A-5eduB:
41.8
4qa2A-5eduB:
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.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 HIS B 611
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.98A 4qa2A-5eduB:
41.8
4qa2A-5eduB:
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.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 12 PHE B 620
HIS B 651
PHE B 680
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.7A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.19A 4qa2A-5eduB:
41.8
4qa2A-5eduB:
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.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
10 / 12 HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.37A 4qa2B-5eduB:
42.4
4qa2B-5eduB:
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.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.24A 4qa2B-5eduB:
42.4
4qa2B-5eduB:
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.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 HIS B 611
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.98A 4qa2B-5eduB:
42.4
4qa2B-5eduB:
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.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 12 PHE B 620
HIS B 651
PHE B 680
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.7A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.18A 4qa2B-5eduB:
42.4
4qa2B-5eduB:
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.
4RKU_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 8 PHE B 660
SER B 665
ALA B 633
PHE B 576
None
0.96A 4rkuA-5eduB:
undetectable
4rkuJ-5eduB:
undetectable
4rkuA-5eduB:
21.75
4rkuJ-5eduB:
4.87
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.
4RTB_A_SAMA501_1
(HYDG PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
3 / 3 GLU B 733
ARG B 773
GLN B 260
None
0.87A 4rtbA-5eduB:
undetectable
4rtbA-5eduB:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBS_A_DIFA502_1
(PENTALENIC ACID
SYNTHASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 9 VAL B 723
LEU B 766
SER B 738
LEU B 736
ILE B 774
None
1.32A 4ubsA-5eduB:
undetectable
4ubsA-5eduB:
20.40
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.
4UDA_A_DEXA1985_2
(MINERALOCORTICOID
RECEPTOR)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 6 LEU B 537
LEU B 548
THR B 583
VAL B 628
None
1.08A 4udaA-5eduB:
undetectable
4udaA-5eduB:
15.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 7 SER B 479
TYR B 449
ARG B 174
SER B 445
None
None
MAL  B2505 (-3.5A)
None
1.20A 4xzkA-5eduB:
undetectable
4xzkA-5eduB:
17.94
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.
5DX3_A_ESTA601_1
(ESTROGEN RECEPTOR)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 10 LEU B 716
ALA B 713
MET B 710
GLY B 815
LEU B 817
None
1.31A 5dx3A-5eduB:
undetectable
5dx3A-5eduB:
15.59
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 12 PRO B 501
HIS B 610
HIS B 651
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
1.18A 5eeiA-5eduB:
62.8
5eeiA-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
12 / 12 PRO B 501
SER B 568
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
0.34A 5eeiA-5eduB:
62.8
5eeiA-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 12 PRO B 501
HIS B 610
HIS B 651
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
1.18A 5eeiB-5eduB:
63.2
5eeiB-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
12 / 12 PRO B 501
SER B 568
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
0.35A 5eeiB-5eduB:
63.2
5eeiB-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 HIS B 500
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 ( 4.4A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.18A 5eenA-5eduB:
63.5
5eenA-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
12 / 12 HIS B 500
PRO B 501
SER B 568
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 ( 4.4A)
TSN  B2501 (-4.8A)
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.25A 5eenA-5eduB:
63.5
5eenA-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 12 HIS B 610
HIS B 611
ASP B 649
HIS B 651
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
1.20A 5eenA-5eduB:
63.5
5eenA-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 PRO B 501
HIS B 610
HIS B 651
ASP B 742
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
1.05A 5eenA-5eduB:
63.5
5eenA-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 SER B 568
PHE B 680
ASP B 742
PHE B 620
ASP B 649
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
1.21A 5eenA-5eduB:
63.5
5eenA-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
12 / 12 HIS B 500
PRO B 501
SER B 568
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 ( 4.4A)
TSN  B2501 (-4.8A)
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
0.28A 5eenB-5eduB:
63.4
5eenB-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 12 PRO B 501
HIS B 610
HIS B 651
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
1.09A 5eenB-5eduB:
63.4
5eenB-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 SER B 568
PHE B 680
ASP B 742
PHE B 620
ASP B 649
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
1.21A 5eenB-5eduB:
63.4
5eenB-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
12 / 12 ASP B 497
HIS B 500
PRO B 501
SER B 568
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
TYR B 782
TSN  B2501 ( 4.5A)
TSN  B2501 ( 4.4A)
TSN  B2501 (-4.8A)
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
0.34A 5ef8A-5eduB:
63.6
5ef8A-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 PRO B 501
HIS B 610
HIS B 651
ASP B 742
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
1.12A 5ef8A-5eduB:
63.6
5ef8A-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 SER B 568
PHE B 680
ASP B 742
PHE B 620
ASP B 649
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
1.21A 5ef8A-5eduB:
63.6
5ef8A-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
12 / 12 ASP B 497
PRO B 501
SER B 568
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 ( 4.5A)
TSN  B2501 (-4.8A)
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
0.34A 5ef8B-5eduB:
63.6
5ef8B-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 12 PRO B 501
HIS B 610
HIS B 651
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
1.08A 5ef8B-5eduB:
63.6
5ef8B-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 12 SER B 568
PHE B 680
ASP B 742
PHE B 620
ASP B 649
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
1.19A 5ef8B-5eduB:
63.6
5ef8B-5eduB:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LJD_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 9 LEU B 667
ILE B 820
THR B 823
ILE B 726
LEU B 671
None
1.12A 5ljdA-5eduB:
undetectable
5ljdA-5eduB:
9.72
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.
5W4Z_A_RBFA502_1
(RIBOFLAVIN LYASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 12 ALA B 450
ALA B 446
GLY B 274
ALA B 296
PHE B 277
VAL B 289
None
1.35A 5w4zA-5eduB:
undetectable
5w4zA-5eduB:
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.
5W4Z_B_RBFB502_1
(RIBOFLAVIN LYASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
6 / 12 ALA B 450
ALA B 446
GLY B 274
ALA B 296
PHE B 277
VAL B 289
None
1.38A 5w4zB-5eduB:
undetectable
5w4zB-5eduB:
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.
5YW0_A_ACTA410_0
(UNCHARACTERIZED
PROTEIN KDOO)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 4 GLY B 482
LEU B 524
VAL B 598
GLU B 597
None
1.28A 5yw0A-5eduB:
undetectable
5yw0A-5eduB:
18.24
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.
6AG0_A_ACRA605_0
(ALPHA-AMYLASE)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 8 GLY B 655
ASP B 647
ASP B 649
HIS B 672
None
K  B2504 (-3.3A)
ZN  B2502 (-2.2A)
K  B2504 ( 4.8A)
0.85A 6ag0A-5eduB:
undetectable
6ag0A-5eduB:
8.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
3 / 3 TYR B 263
ASN B 335
LEU B 221
MAL  B2505 (-4.1A)
None
None
0.82A 6b58A-5eduB:
2.3
6b58A-5eduB:
22.13
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
5 / 11 ALA B 582
TYR B 570
GLU B 502
THR B 575
ALA B 579
None
1.19A 6dk1C-5eduB:
undetectable
6dk1C-5eduB:
16.95
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.
6MN4_A_AM2A301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 8 ASP B 662
HIS B 827
ARG B 693
GLU B 685
None
1.22A 6mn4A-5eduB:
undetectable
6mn4A-5eduB:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN4_B_AM2B301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo
sapiens)
4 / 8 ASP B 662
HIS B 827
ARG B 693
GLU B 685
None
1.23A 6mn4B-5eduB:
undetectable
6mn4B-5eduB:
17.33