SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DG3'


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.
1CEA_A_ACAA90_1
(PLASMINOGEN)
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus)
4 / 8 ASP A 511
ASP A 512
TYR A  38
ARG A  35
None
None
None
DG3  A 576 (-3.6A)
1.48A 1ceaA-3auoA:
undetectable
1ceaB-3auoA:
undetectable
1ceaA-3auoA:
9.89
1ceaB-3auoA:
9.89
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.
1CEA_B_ACAB90_1
(PLASMINOGEN)
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus)
4 / 7 ASP A 511
ASP A 512
TYR A  38
ARG A  35
None
None
None
DG3  A 576 (-3.6A)
1.49A 1ceaB-3auoA:
undetectable
1ceaB-3auoA:
9.89
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.
1CEB_A_AMHA90_1
(PLASMINOGEN)
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus)
4 / 7 ASP A 511
ASP A 512
TYR A  38
ARG A  35
None
None
None
DG3  A 576 (-3.6A)
1.49A 1cebA-3auoA:
undetectable
1cebA-3auoA:
9.89
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.
1CEB_B_AMHB90_1
(PLASMINOGEN)
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus)
4 / 7 ASP A 511
ASP A 512
TYR A  38
ARG A  35
None
None
None
DG3  A 576 (-3.6A)
1.45A 1cebB-3auoA:
undetectable
1cebB-3auoA:
9.89
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.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
4 / 5 HIS A 206
HIS A 210
HIS A 233
ASP A 311
FE  A1001 ( 3.2A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
FE  A1001 ( 2.6A)
0.96A 1e9yB-5ao0A:
undetectable
1e9yB-5ao0A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 ASP A 207
HIS A 215
ASP A 218
FE  A1001 ( 2.7A)
DG3  A2001 (-3.4A)
None
0.80A 1nw5A-5ao0A:
undetectable
1nw5A-5ao0A:
19.34
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.
1V54_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.67A 1v54A-5ao0A:
undetectable
1v54A-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 1v54N-5ao0A:
undetectable
1v54N-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.67A 1v55A-5ao0A:
undetectable
1v55A-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.67A 1v55N-5ao0A:
undetectable
1v55N-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.65A 2dyrA-5ao0A:
undetectable
2dyrA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 2dyrN-5ao0A:
0.0
2dyrN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.63A 2dysA-5ao0A:
0.8
2dysA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.61A 2dysN-5ao0A:
undetectable
2dysN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.65A 2eijA-5ao0A:
undetectable
2eijA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.65A 2eijN-5ao0A:
undetectable
2eijN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.63A 2eikA-5ao0A:
undetectable
2eikA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.66A 2eikN-5ao0A:
undetectable
2eikN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.64A 2eilA-5ao0A:
undetectable
2eilA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.65A 2eilN-5ao0A:
undetectable
2eilN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 2eimA-5ao0A:
undetectable
2eimA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.63A 2eimN-5ao0A:
1.1
2eimN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.60A 2einA-5ao0A:
1.1
2einA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.65A 2einN-5ao0A:
1.7
2einN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
5 / 12 ILE A 222
ARG A 164
PHE A 217
ILE A 426
LEU A 422
None
DG3  A2001 (-3.0A)
None
None
None
1.12A 2w3bA-5ao0A:
undetectable
2w3bA-5ao0A:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.72A 2y69A-5ao0A:
undetectable
2y69A-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.71A 2y69N-5ao0A:
undetectable
2y69N-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.76A 2zxwA-5ao0A:
undetectable
2zxwA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 2zxwN-5ao0A:
undetectable
2zxwN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 3abkA-5ao0A:
1.1
3abkA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 3abkN-5ao0A:
undetectable
3abkN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 3ablA-5ao0A:
undetectable
3ablA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.72A 3ablN-5ao0A:
undetectable
3ablN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.72A 3abmA-5ao0A:
undetectable
3abmA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 3abmN-5ao0A:
undetectable
3abmN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.69A 3ag1A-5ao0A:
undetectable
3ag1A-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.73A 3ag1N-5ao0A:
undetectable
3ag1N-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 3ag2A-5ao0A:
undetectable
3ag2A-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 3ag2N-5ao0A:
undetectable
3ag2N-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 3ag3A-5ao0A:
undetectable
3ag3A-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.71A 3ag3N-5ao0A:
undetectable
3ag3N-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.74A 3ag4A-5ao0A:
undetectable
3ag4A-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 3ag4N-5ao0A:
undetectable
3ag4N-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.66A 3asnA-5ao0A:
undetectable
3asnA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.69A 3asnN-5ao0A:
undetectable
3asnN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.67A 3asoA-5ao0A:
undetectable
3asoA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 3asoN-5ao0A:
undetectable
3asoN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
4 / 6 HIS A 210
HIS A 215
ASP A 207
ASP A 311
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
FE  A1001 ( 2.7A)
FE  A1001 ( 2.6A)
1.17A 3c0zC-5ao0A:
undetectable
3c0zC-5ao0A:
22.26
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.
3DTU_A_CUA1023_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 3dtuA-5ao0A:
0.9
3dtuA-5ao0A:
21.09
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.
3DTU_C_CUC569_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 3dtuC-5ao0A:
undetectable
3dtuC-5ao0A:
21.09
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.
3GYQ_A_SAMA270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
5 / 12 LEU A 132
GLY A 176
ILE A 136
LEU A 169
ARG A 318
None
None
DG3  A2002 ( 4.9A)
None
None
1.29A 3gyqA-5ao0A:
undetectable
3gyqB-5ao0A:
undetectable
3gyqA-5ao0A:
17.53
3gyqB-5ao0A:
17.53
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.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
5 / 12 ARG A 164
HIS A 167
ASP A 207
ASP A 311
LEU A 323
DG3  A2001 (-3.0A)
FE  A1001 ( 3.6A)
FE  A1001 ( 2.7A)
FE  A1001 ( 2.6A)
None
1.37A 3lmyA-5ao0A:
undetectable
3lmyA-5ao0A:
21.79
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.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
5 / 12 ARG A 164
HIS A 167
ASP A 207
ASP A 311
TYR A 374
DG3  A2001 (-3.0A)
FE  A1001 ( 3.6A)
FE  A1001 ( 2.7A)
FE  A1001 ( 2.6A)
DG3  A2001 (-4.3A)
1.28A 3lmyA-5ao0A:
undetectable
3lmyA-5ao0A:
21.79
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.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
5 / 12 ARG A 164
HIS A 167
ASP A 207
ASP A 311
TYR A 374
DG3  A2001 (-3.0A)
FE  A1001 ( 3.6A)
FE  A1001 ( 2.7A)
FE  A1001 ( 2.6A)
DG3  A2001 (-4.3A)
1.30A 3lmyB-5ao0A:
undetectable
3lmyB-5ao0A:
21.79
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.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
4x0q DNA POLYMERASE THETA
(Homo
sapiens)
4 / 6 GLU A2335
THR A2237
ALA A2477
ALA A2478
DG3  A2604 ( 4.4A)
None
None
None
1.04A 3ns1C-4x0qA:
undetectable
3ns1C-4x0qA:
22.26
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
4 / 6 HIS A 210
HIS A 233
HIS A 215
ASP A 311
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
DG3  A2001 (-3.4A)
FE  A1001 ( 2.6A)
1.13A 3nvcA-5ao0A:
undetectable
3nvcA-5ao0A:
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
4 / 6 HIS A 233
HIS A 215
HIS A 210
ASP A 311
DG3  A2001 (-3.4A)
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
FE  A1001 ( 2.6A)
0.86A 3nvcA-5ao0A:
undetectable
3nvcA-5ao0A:
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.
3S33_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 3s33A-5ao0A:
undetectable
3s33A-5ao0A:
22.01
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.
3S38_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.74A 3s38A-5ao0A:
undetectable
3s38A-5ao0A:
22.01
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.
3S39_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 3s39A-5ao0A:
undetectable
3s39A-5ao0A:
22.01
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.
3S3A_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 3s3aA-5ao0A:
undetectable
3s3aA-5ao0A:
22.01
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.
3S3B_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.66A 3s3bA-5ao0A:
undetectable
3s3bA-5ao0A:
22.01
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.
3S3C_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.71A 3s3cA-5ao0A:
undetectable
3s3cA-5ao0A:
22.01
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.
3S3D_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.69A 3s3dA-5ao0A:
undetectable
3s3dA-5ao0A:
22.01
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.
3UQ6_B_ADNB401_2
(ADENOSINE KINASE,
PUTATIVE)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
4 / 5 LEU A 150
GLY A 151
PHE A 157
ASN A 380
None
None
None
DG3  A2001 (-3.2A)
1.01A 3uq6B-5ao0A:
undetectable
3uq6B-5ao0A:
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.
3UQ6_B_ADNB401_2
(ADENOSINE KINASE,
PUTATIVE)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
4 / 5 LEU A 150
GLY A 152
PHE A 157
ASN A 380
None
None
None
DG3  A2001 (-3.2A)
1.24A 3uq6B-5ao0A:
undetectable
3uq6B-5ao0A:
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.
3WG7_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.67A 3wg7A-5ao0A:
undetectable
3wg7A-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.71A 3wg7N-5ao0A:
undetectable
3wg7N-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_A_CUA604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.66A 3x2qA-5ao0A:
undetectable
3x2qA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.65A 3x2qN-5ao0A:
undetectable
3x2qN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D33_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
4 / 8 SER A 214
ARG A 164
GLU A 234
ASP A 218
None
DG3  A2001 (-3.0A)
DG3  A2001 ( 4.3A)
None
1.06A 4d33A-5ao0A:
undetectable
4d33A-5ao0A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D33_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
4 / 7 SER A 214
ARG A 164
GLU A 234
ASP A 218
None
DG3  A2001 (-3.0A)
DG3  A2001 ( 4.3A)
None
1.01A 4d33B-5ao0A:
undetectable
4d33B-5ao0A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H9M_A_HAEA929_1
(UREASE)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
4 / 5 HIS A 206
HIS A 210
HIS A 233
ASP A 311
FE  A1001 ( 3.2A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
FE  A1001 ( 2.6A)
0.91A 4h9mA-5ao0A:
undetectable
4h9mA-5ao0A:
22.26
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.
4MDA_A_RLTA403_1
(MARINER MOS1
TRANSPOSASE)
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus)
4 / 6 ASP A 200
ALA A 226
TYR A 225
ASP A 198
DG3  A 576 (-2.6A)
None
None
MG  A 577 (-2.8A)
1.15A 4mdaA-3auoA:
undetectable
4mdaA-3auoA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MDB_A_RLTA401_1
(MARINER MOS1
TRANSPOSASE)
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus)
4 / 6 ASP A 200
ALA A 226
TYR A 225
ASP A 198
DG3  A 576 (-2.6A)
None
None
MG  A 577 (-2.8A)
1.17A 4mdbA-3auoA:
undetectable
4mdbA-3auoA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
5 / 12 HIS A 215
HIS A 210
GLY A 211
PHE A 217
GLY A 219
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
None
None
DG3  A2001 ( 4.4A)
1.12A 4qa2A-5ao0A:
undetectable
4qa2A-5ao0A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
5 / 6 HIS A 206
HIS A 167
HIS A 210
HIS A 233
ASP A 311
FE  A1001 ( 3.2A)
FE  A1001 ( 3.6A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
FE  A1001 ( 2.6A)
1.06A 4ubpC-5ao0A:
undetectable
4ubpC-5ao0A:
23.87
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.
4XMF_A_HSMA202_1
(NITROPHORIN-7)
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus)
3 / 3 ASP A 198
LEU A 259
GLY A 187
MG  A 577 (-2.8A)
DG3  A 576 (-4.8A)
DG3  A 576 (-3.4A)
0.54A 4xmfA-3auoA:
undetectable
4xmfA-3auoA:
16.86
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.
5B1A_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.67A 5b1aA-5ao0A:
undetectable
5b1aA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.69A 5b1aN-5ao0A:
undetectable
5b1aN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 5b1bA-5ao0A:
undetectable
5b1bA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 5b1bN-5ao0A:
undetectable
5b1bN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 5b3sA-5ao0A:
undetectable
5b3sA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.71A 5b3sN-5ao0A:
undetectable
5b3sN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HP1_A_PPFA602_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)
4x0q DNA POLYMERASE THETA
(Homo
sapiens)
4 / 6 LYS A2383
ARG A2379
ASP A2540
ASP A2330
DG3  A2604 (-2.5A)
DG3  A2604 (-3.4A)
MG  A2603 ( 2.6A)
MG  A2603 ( 2.3A)
1.29A 5hp1A-4x0qA:
4.7
5hp1A-4x0qA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HP1_C_PPFC601_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)
4x0q DNA POLYMERASE THETA
(Homo
sapiens)
4 / 6 ARG A2379
ASP A2330
ASP A2540
LYS A2575
DG3  A2604 (-3.4A)
MG  A2603 ( 2.3A)
MG  A2603 ( 2.6A)
DG3  A2604 ( 3.7A)
1.06A 5hp1C-4x0qA:
4.5
5hp1C-4x0qA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.69A 5iy5A-5ao0A:
undetectable
5iy5A-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 5iy5N-5ao0A:
undetectable
5iy5N-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
4 / 4 ASP A 207
HIS A 210
HIS A 215
HIS A 167
FE  A1001 ( 2.7A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
FE  A1001 ( 3.6A)
1.17A 5ncdD-5ao0A:
undetectable
5ncdD-5ao0A:
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.
5W97_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.71A 5w97a-5ao0A:
undetectable
5w97a-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.73A 5waua-5ao0A:
undetectable
5waua-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.67A 5x19A-5ao0A:
undetectable
5x19A-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 5x19N-5ao0A:
undetectable
5x19N-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 5x1bA-5ao0A:
undetectable
5x1bA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.66A 5x1fA-5ao0A:
undetectable
5x1fA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.65A 5x1fN-5ao0A:
undetectable
5x1fN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 5xdqA-5ao0A:
undetectable
5xdqA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.69A 5xdqN-5ao0A:
undetectable
5xdqN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.71A 5xdxA-5ao0A:
undetectable
5xdxA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.69A 5xdxN-5ao0A:
undetectable
5xdxN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 5z84A-5ao0A:
undetectable
5z84A-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.67A 5z84N-5ao0A:
undetectable
5z84N-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 5z85A-5ao0A:
undetectable
5z85A-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.67A 5z85N-5ao0A:
undetectable
5z85N-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.67A 5z86A-5ao0A:
undetectable
5z86A-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.68A 5z86N-5ao0A:
undetectable
5z86N-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.69A 5zcoA-5ao0A:
0.9
5zcoA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.65A 5zcoN-5ao0A:
undetectable
5zcoN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.66A 5zcpA-5ao0A:
undetectable
5zcpA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.67A 5zcpN-5ao0A:
undetectable
5zcpN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.66A 5zcqA-5ao0A:
undetectable
5zcqA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.66A 5zcqN-5ao0A:
undetectable
5zcqN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.74A 6hu9a-5ao0A:
undetectable
6hu9a-5ao0A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_M_CUM601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.73A 6hu9m-5ao0A:
undetectable
6hu9m-5ao0A:
21.41
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.
6NKN_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.73A 6nknA-5ao0A:
undetectable
6nknA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.73A 6nknN-5ao0A:
undetectable
6nknN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.71A 6nmfA-5ao0A:
undetectable
6nmfA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 6nmfN-5ao0A:
undetectable
6nmfN-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.69A 6nmpA-5ao0A:
undetectable
6nmpA-5ao0A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo
sapiens)
3 / 3 HIS A 215
HIS A 210
HIS A 233
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
0.70A 6nmpN-5ao0A:
undetectable
6nmpN-5ao0A:
21.20