SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DTP'


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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
(Pseudomonas
aeruginosa) 		4 / 8 TYR A 121
ARG A 125
TYR A 124
GLU A 106
 DTP  A1002 ( 3.6A)
None
DTP  A1002 (-3.4A)
None
 1.32A 1nx9A-5im3A:
undetectable		 1nx9A-5im3A:
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 5olk RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT 1
(Leeuwenhoekiella
blandensis) 		4 / 8 TYR A  91
ARG A  95
TYR A  94
GLU A  76
 DTP  A1002 ( 3.6A)
None
DTP  A1002 (-3.5A)
None
 1.26A 1nx9A-5olkA:
undetectable		 1nx9A-5olkA:
8.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
(Pseudomonas
aeruginosa) 		4 / 8 TYR A 121
ARG A 125
TYR A 124
GLU A 106
 DTP  A1002 ( 3.6A)
None
DTP  A1002 (-3.4A)
None
 1.33A 1nx9B-5im3A:
undetectable		 1nx9B-5im3A:
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 5olk RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT 1
(Leeuwenhoekiella
blandensis) 		4 / 8 TYR A  91
ARG A  95
TYR A  94
GLU A  76
 DTP  A1002 ( 3.6A)
None
DTP  A1002 (-3.5A)
None
 1.26A 1nx9B-5olkA:
undetectable		 1nx9B-5olkA:
8.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
(Pseudomonas
aeruginosa) 		4 / 8 TYR A 121
ARG A 125
TYR A 124
GLU A 106
 DTP  A1002 ( 3.6A)
None
DTP  A1002 (-3.4A)
None
 1.32A 1nx9C-5im3A:
undetectable		 1nx9C-5im3A:
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 5olk RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT 1
(Leeuwenhoekiella
blandensis) 		4 / 8 TYR A  91
ARG A  95
TYR A  94
GLU A  76
 DTP  A1002 ( 3.6A)
None
DTP  A1002 (-3.5A)
None
 1.25A 1nx9C-5olkA:
undetectable		 1nx9C-5olkA:
8.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
(Pseudomonas
aeruginosa) 		4 / 8 TYR A 121
ARG A 125
TYR A 124
GLU A 106
 DTP  A1002 ( 3.6A)
None
DTP  A1002 (-3.4A)
None
 1.32A 1nx9D-5im3A:
undetectable		 1nx9D-5im3A:
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 5olk RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT 1
(Leeuwenhoekiella
blandensis) 		4 / 8 TYR A  91
ARG A  95
TYR A  94
GLU A  76
 DTP  A1002 ( 3.6A)
None
DTP  A1002 (-3.5A)
None
 1.25A 1nx9D-5olkA:
undetectable		 1nx9D-5olkA:
8.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 GLU A  70
VAL A  72
TRP A  75
MET A  99
ASP A 147
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.1A)
 1.41A 1p5zB-2ocpA:
32.7		 1p5zB-2ocpA:
46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 GLU A  70
VAL A  72
TRP A  75
MET A  99
GLN A 111
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-2.9A)
 1.24A 1p5zB-2ocpA:
32.7		 1p5zB-2ocpA:
46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		8 / 12 ILE A  47
VAL A  72
TRP A  75
LEU A  96
MET A  99
TYR A 100
ASP A 147
PHE A 151
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.1A)
DTP  A 301 (-3.3A)
 0.85A 1p5zB-2ocpA:
32.7		 1p5zB-2ocpA:
46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		10 / 12 ILE A  47
VAL A  72
TRP A  75
LEU A  96
MET A  99
TYR A 100
GLN A 111
ARG A 142
PHE A 151
GLU A 211
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
 0.81A 1p5zB-2ocpA:
32.7		 1p5zB-2ocpA:
46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 VAL A  72
LEU A  96
MET A  99
TYR A 100
ARG A 118
 DTP  A 301 (-4.1A)
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-3.1A)
 1.42A 1p5zB-2ocpA:
32.7		 1p5zB-2ocpA:
46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P62_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 11 GLU A  70
VAL A  72
TRP A  75
MET A  99
GLN A 111
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-2.9A)
 1.30A 1p62B-2ocpA:
32.4		 1p62B-2ocpA:
46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P62_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		7 / 11 ILE A  47
VAL A  72
TRP A  75
MET A  99
TYR A 100
ASP A 147
PHE A 151
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.1A)
DTP  A 301 (-3.3A)
 0.97A 1p62B-2ocpA:
32.4		 1p62B-2ocpA:
46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P62_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		9 / 11 ILE A  47
VAL A  72
TRP A  75
MET A  99
TYR A 100
GLN A 111
ARG A 142
PHE A 151
GLU A 211
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
 0.77A 1p62B-2ocpA:
32.4		 1p62B-2ocpA:
46.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		 2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT
(Homo
sapiens) 		3 / 3 ARG A 256
SER A 373
TYR A 371
 DTP  A1745 (-3.0A)
None
None
 0.58A 1x70A-2wghA:
2.2		 1x70A-2wghA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		 5olk RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT 1
(Leeuwenhoekiella
blandensis) 		3 / 3 ARG A  98
SER A  15
TYR A  14
 DTP  A1002 (-4.6A)
None
None
 0.63A 1x70A-5olkA:
undetectable		 1x70A-5olkA:
6.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		4 / 5 ASN A 154
MET A  99
GLN A 111
PHE A 151
 None
DTP  A 301 ( 3.9A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.3A)
 1.48A 1xmuB-2ocpA:
0.2		 1xmuB-2ocpA:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A7Q_A_CFBA328_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 12 GLU A  70
VAL A  72
TRP A  75
MET A  99
PHE A 110
GLN A 111
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
 1.06A 2a7qA-2ocpA:
33.0		 2a7qA-2ocpA:
46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A7Q_A_CFBA328_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		10 / 12 VAL A  72
TRP A  75
MET A  99
TYR A 100
PHE A 110
GLN A 111
ARG A 142
PHE A 151
GLU A 211
TYR A 218
 DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
None
 0.55A 2a7qA-2ocpA:
33.0		 2a7qA-2ocpA:
46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A7Q_A_CFBA328_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		9 / 12 VAL A  72
TRP A  75
TYR A 100
PHE A 110
ARG A 118
ARG A 142
PHE A 151
GLU A 211
TYR A 218
 DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
None
 0.81A 2a7qA-2ocpA:
33.0		 2a7qA-2ocpA:
46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JJ8_A_AZZA1211_1
(DEOXYNUCLEOSIDE
KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 10 VAL A  72
TRP A  75
PHE A 110
GLN A 111
ARG A 142
PHE A 151
 DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.75A 2jj8A-2ocpA:
23.5		 2jj8A-2ocpA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JJ8_B_AZZB1211_1
(DEOXYNUCLEOSIDE
KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		7 / 12 TRP A  75
LEU A  96
TYR A 100
PHE A 110
GLN A 111
ARG A 142
PHE A 151
 None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.79A 2jj8B-2ocpA:
23.9		 2jj8B-2ocpA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JJ8_C_AZZC1211_1
(DEOXYNUCLEOSIDE
KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 12 GLU A  70
VAL A  72
TRP A  75
MET A  99
PHE A 110
GLN A 111
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
 1.23A 2jj8C-2ocpA:
23.2		 2jj8C-2ocpA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JJ8_C_AZZC1211_1
(DEOXYNUCLEOSIDE
KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		8 / 12 ILE A  47
VAL A  72
TRP A  75
LEU A  96
PHE A 110
GLN A 111
ARG A 142
PHE A 151
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.78A 2jj8C-2ocpA:
23.2		 2jj8C-2ocpA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JJ8_C_AZZC1211_1
(DEOXYNUCLEOSIDE
KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		7 / 12 VAL A  72
TRP A  75
LEU A  96
MET A  99
PHE A 110
GLN A 111
ARG A 142
 DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
 0.88A 2jj8C-2ocpA:
23.2		 2jj8C-2ocpA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JJ8_D_AZZD1211_1
(DEOXYNUCLEOSIDE
KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 10 ILE A  47
TRP A  75
PHE A 110
GLN A 111
ARG A 142
PHE A 151
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.76A 2jj8D-2ocpA:
24.0		 2jj8D-2ocpA:
33.33
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.
2KI5_A_AC2A1_1
(PROTEIN (THYMIDINE
KINASE))		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 TRP A  75
TYR A 100
GLN A 111
ARG A 208
GLU A 211
 None
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.4A)
DTP  A 301 (-3.5A)
 1.31A 2ki5A-2ocpA:
16.6		 2ki5A-2ocpA:
23.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO0_A_GEOA302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 12 GLU A  70
VAL A  72
TRP A  75
MET A  99
PHE A 110
GLN A 111
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
 1.18A 2no0A-2ocpA:
32.3		 2no0A-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO0_A_GEOA302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		11 / 12 ILE A  47
VAL A  72
TRP A  75
LEU A  96
MET A  99
TYR A 100
PHE A 110
GLN A 111
ARG A 142
PHE A 151
GLU A 211
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
 0.69A 2no0A-2ocpA:
32.3		 2no0A-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO0_A_GEOA302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 VAL A  72
LEU A  96
MET A  99
TYR A 100
ARG A 118
 DTP  A 301 (-4.1A)
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-3.1A)
 1.45A 2no0A-2ocpA:
32.3		 2no0A-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO0_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 GLU A  70
VAL A  72
TRP A  75
PHE A 110
GLN A 111
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
 1.05A 2no0B-2ocpA:
32.5		 2no0B-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO0_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		11 / 12 ILE A  47
VAL A  72
TRP A  75
LEU A  96
MET A  99
TYR A 100
PHE A 110
GLN A 111
ARG A 142
PHE A 151
GLU A 211
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
 0.74A 2no0B-2ocpA:
32.5		 2no0B-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		8 / 12 ILE A  47
LEU A  96
MET A  99
TYR A 100
GLN A 111
ASP A 147
PHE A 151
TYR A 218
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-4.1A)
DTP  A 301 (-3.3A)
None
 0.95A 2no6A-2ocpA:
32.1		 2no6A-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 ILE A  47
TRP A  75
LEU A  96
ARG A 118
ARG A 142
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
 1.00A 2no6A-2ocpA:
32.1		 2no6A-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		9 / 12 ILE A  47
TRP A  75
LEU A  96
MET A  99
TYR A 100
GLN A 111
ARG A 142
PHE A 151
TYR A 218
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
None
 0.64A 2no6A-2ocpA:
32.1		 2no6A-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 11 ILE A  47
TRP A  75
LEU A  96
ARG A 118
ARG A 142
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
 0.96A 2no6B-2ocpA:
32.5		 2no6B-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 11 ILE A  47
TRP A  75
LEU A  96
ARG A 118
ASP A 147
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-3.1A)
DTP  A 301 (-4.1A)
 1.11A 2no6B-2ocpA:
32.5		 2no6B-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		7 / 11 ILE A  47
TRP A  75
LEU A  96
MET A  99
TYR A 100
ASP A 147
PHE A 151
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.1A)
DTP  A 301 (-3.3A)
 0.90A 2no6B-2ocpA:
32.5		 2no6B-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		8 / 11 ILE A  47
TRP A  75
LEU A  96
MET A  99
TYR A 100
GLN A 111
ARG A 142
PHE A 151
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.63A 2no6B-2ocpA:
32.5		 2no6B-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 GLU A  70
TRP A  75
MET A  99
PHE A 110
GLN A 111
 None
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
 1.03A 2noaA-2ocpA:
32.1		 2noaA-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		9 / 12 ILE A  47
TRP A  75
LEU A  96
MET A  99
TYR A 100
PHE A 110
GLN A 111
ARG A 142
PHE A 151
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.61A 2noaA-2ocpA:
32.1		 2noaA-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 12 ILE A  47
TRP A  75
LEU A  96
TYR A 100
ARG A 118
ARG A 142
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
 0.92A 2noaA-2ocpA:
32.1		 2noaA-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 11 ILE A  47
TRP A  75
LEU A  96
TYR A 100
ARG A 118
ARG A 142
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
 0.93A 2noaB-2ocpA:
32.6		 2noaB-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 11 ILE A  47
TRP A  75
LEU A  96
TYR A 100
ARG A 118
ASP A 147
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-3.1A)
DTP  A 301 (-4.1A)
 1.07A 2noaB-2ocpA:
32.6		 2noaB-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 11 ILE A  47
TRP A  75
LEU A  96
TYR A 100
ASP A 147
PHE A 151
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.1A)
DTP  A 301 (-3.3A)
 0.86A 2noaB-2ocpA:
32.6		 2noaB-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		7 / 11 ILE A  47
TRP A  75
LEU A  96
TYR A 100
GLN A 111
ARG A 142
PHE A 151
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.61A 2noaB-2ocpA:
32.6		 2noaB-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 12 GLU A  70
VAL A  72
TRP A  75
MET A  99
PHE A 110
GLN A 111
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
 1.17A 2vppA-2ocpA:
26.5		 2vppA-2ocpA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		10 / 12 ILE A  47
VAL A  72
TRP A  75
MET A  99
TYR A 100
PHE A 110
GLN A 111
ARG A 142
PHE A 151
GLU A 211
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
 0.75A 2vppA-2ocpA:
26.5		 2vppA-2ocpA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VPP_B_GEOB1207_1
(DEOXYNUCLEOSIDE
KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		7 / 12 GLU A  70
VAL A  72
TRP A  75
MET A  99
PHE A 110
GLN A 111
PHE A 151
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.3A)
 1.20A 2vppB-2ocpA:
25.9		 2vppB-2ocpA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VPP_B_GEOB1207_1
(DEOXYNUCLEOSIDE
KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		10 / 12 ILE A  47
VAL A  72
TRP A  75
MET A  99
TYR A 100
PHE A 110
GLN A 111
ARG A 142
PHE A 151
GLU A 211
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
 0.73A 2vppB-2ocpA:
25.9		 2vppB-2ocpA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZI9_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 GLU A  70
TRP A  75
MET A  99
PHE A 110
GLN A 111
 None
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
 1.02A 2zi9A-2ocpA:
32.0		 2zi9A-2ocpA:
44.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZI9_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 ILE A  47
ARG A 142
ARG A 206
GLU A 211
TYR A 218
 DTP  A 301 (-3.8A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.5A)
None
 1.33A 2zi9A-2ocpA:
32.0		 2zi9A-2ocpA:
44.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZI9_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		10 / 12 ILE A  47
TRP A  75
MET A  99
TYR A 100
PHE A 110
GLN A 111
ARG A 142
ARG A 208
GLU A 211
TYR A 218
 DTP  A 301 (-3.8A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.4A)
DTP  A 301 (-3.5A)
None
 0.58A 2zi9A-2ocpA:
32.0		 2zi9A-2ocpA:
44.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZI9_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		9 / 12 ILE A  47
TRP A  75
TYR A 100
PHE A 110
ARG A 118
ARG A 142
ARG A 208
GLU A 211
TYR A 218
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.4A)
DTP  A 301 (-3.5A)
None
 0.81A 2zi9A-2ocpA:
32.0		 2zi9A-2ocpA:
44.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZI9_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 GLU A  70
TRP A  75
MET A  99
PHE A 110
GLN A 111
 None
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
 1.16A 2zi9B-2ocpA:
31.8		 2zi9B-2ocpA:
44.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZI9_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 ILE A  47
TRP A  75
ARG A 118
ARG A 206
GLU A 211
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-3.1A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.5A)
 0.95A 2zi9B-2ocpA:
31.8		 2zi9B-2ocpA:
44.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZI9_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		10 / 12 ILE A  47
TRP A  75
MET A  99
TYR A 100
PHE A 110
GLN A 111
PHE A 151
ARG A 206
GLU A 211
TYR A 218
 DTP  A 301 (-3.8A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.5A)
None
 0.75A 2zi9B-2ocpA:
31.8		 2zi9B-2ocpA:
44.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZIA_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		10 / 12 ILE A  47
TRP A  75
LEU A  96
MET A  99
TYR A 100
GLN A 111
ARG A 142
PHE A 151
GLU A 211
TYR A 218
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
None
 0.53A 2ziaA-2ocpA:
33.2		 2ziaA-2ocpA:
44.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZIA_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		9 / 12 ILE A  47
TRP A  75
LEU A  96
TYR A 100
ARG A 118
ARG A 142
PHE A 151
GLU A 211
TYR A 218
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
None
 0.70A 2ziaA-2ocpA:
33.2		 2ziaA-2ocpA:
44.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 GLU A  70
VAL A  72
TRP A  75
MET A  99
GLN A 111
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-2.9A)
 1.15A 2ziaB-2ocpA:
32.2		 2ziaB-2ocpA:
44.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		10 / 12 ILE A  47
VAL A  72
TRP A  75
LEU A  96
MET A  99
TYR A 100
GLN A 111
PHE A 151
GLU A 211
TYR A 218
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
None
 0.54A 2ziaB-2ocpA:
32.2		 2ziaB-2ocpA:
44.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		8 / 12 ILE A  47
VAL A  72
TRP A  75
LEU A  96
TYR A 100
ARG A 118
GLU A 211
TYR A 218
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.5A)
None
 0.64A 2ziaB-2ocpA:
32.2		 2ziaB-2ocpA:
44.84
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.
3DQR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 VAL A 127
VAL A 324
PHE A 298
GLU A 293
 DTP  A1301 (-4.1A)
None
None
None
 1.27A 3dqrA-5wveA:
undetectable
3dqrB-5wveA:
undetectable		 3dqrA-5wveA:
15.34
3dqrB-5wveA:
15.34
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.
3DQR_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.27A 3dqrA-5wveA:
undetectable
3dqrB-5wveA:
undetectable		 3dqrA-5wveA:
15.34
3dqrB-5wveA:
15.34
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.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		3 / 3 SER A 107
GLN A 111
PHE A 110
 None
DTP  A 301 (-2.9A)
DTP  A 301 (-4.2A)
 0.77A 3g4lC-2ocpA:
undetectable		 3g4lC-2ocpA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 12 GLU A  70
VAL A  72
TRP A  75
MET A  99
PHE A 110
GLN A 111
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
 1.21A 3hp1A-2ocpA:
33.1		 3hp1A-2ocpA:
43.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		7 / 12 VAL A  72
TRP A  75
MET A  99
PHE A 110
GLN A 111
ARG A 142
PHE A 151
 DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.94A 3hp1A-2ocpA:
33.1		 3hp1A-2ocpA:
43.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		8 / 12 VAL A  72
TRP A  75
MET A  99
TYR A 100
PHE A 110
ARG A 142
PHE A 151
GLU A 211
 DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
 0.80A 3hp1A-2ocpA:
33.1		 3hp1A-2ocpA:
43.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX2_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 VAL A 127
VAL A 324
PHE A 298
GLU A 293
 DTP  A1301 (-4.1A)
None
None
None
 1.25A 3jx2A-5wveA:
undetectable
3jx2B-5wveA:
undetectable		 3jx2A-5wveA:
15.34
3jx2B-5wveA:
15.34
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.
3JX2_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.29A 3jx2A-5wveA:
undetectable
3jx2B-5wveA:
undetectable		 3jx2A-5wveA:
15.34
3jx2B-5wveA:
15.34
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.
3JX3_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.28A 3jx3A-5wveA:
undetectable
3jx3B-5wveA:
undetectable		 3jx3A-5wveA:
15.34
3jx3B-5wveA:
15.34
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.
3JX4_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.28A 3jx4A-5wveA:
undetectable
3jx4B-5wveA:
undetectable		 3jx4A-5wveA:
15.34
3jx4B-5wveA:
15.34
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.
3JX5_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.28A 3jx5A-5wveA:
undetectable
3jx5B-5wveA:
undetectable		 3jx5A-5wveA:
15.34
3jx5B-5wveA:
15.34
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.
3JX6_B_H4BB761_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.31A 3jx6A-5wveA:
undetectable
3jx6B-5wveA:
undetectable		 3jx6A-5wveA:
15.42
3jx6B-5wveA:
15.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MJR_A_AC2A301_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 9 ILE A  47
GLN A 111
ASP A 147
PHE A 151
TYR A 218
LEU A 222
 DTP  A 301 (-3.8A)
DTP  A 301 (-2.9A)
DTP  A 301 (-4.1A)
DTP  A 301 (-3.3A)
None
None
 0.96A 3mjrA-2ocpA:
29.9		 3mjrA-2ocpA:
44.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MJR_A_AC2A301_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		7 / 9 ILE A  47
GLU A  70
GLN A 111
ARG A 142
PHE A 151
TYR A 218
LEU A 222
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
None
None
 0.72A 3mjrA-2ocpA:
29.9		 3mjrA-2ocpA:
44.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MJR_B_AC2B401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 9 ILE A  47
PHE A 110
ARG A 142
ASP A 147
PHE A 151
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.2A)
DTP  A 301 (-3.2A)
DTP  A 301 (-4.1A)
DTP  A 301 (-3.3A)
 0.92A 3mjrB-2ocpA:
29.8		 3mjrB-2ocpA:
44.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MJR_B_AC2B401_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 9 ILE A  47
PHE A 110
GLN A 111
ARG A 142
PHE A 151
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.63A 3mjrB-2ocpA:
29.8		 3mjrB-2ocpA:
44.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 8 GLU A  70
TYR A 100
PHE A 110
GLN A 111
ASP A 147
 None
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-4.1A)
 1.41A 3mjrD-2ocpA:
28.4		 3mjrD-2ocpA:
44.84
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.
3N61_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A 127
VAL A 324
PHE A 298
GLU A 293
 DTP  A1301 (-4.1A)
None
None
None
 1.26A 3n61A-5wveA:
undetectable
3n61B-5wveA:
undetectable		 3n61A-5wveA:
15.34
3n61B-5wveA:
15.34
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.
3N61_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.28A 3n61A-5wveA:
undetectable
3n61B-5wveA:
undetectable		 3n61A-5wveA:
15.34
3n61B-5wveA:
15.34
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.
3NLJ_B_H4BB761_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.26A 3nljA-5wveA:
undetectable
3nljB-5wveA:
undetectable		 3nljA-5wveA:
15.42
3nljB-5wveA:
15.42
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.
3NLP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 VAL A 127
VAL A 324
PHE A 298
GLU A 293
 DTP  A1301 (-4.1A)
None
None
None
 1.28A 3nlpA-5wveA:
undetectable
3nlpB-5wveA:
undetectable		 3nlpA-5wveA:
15.34
3nlpB-5wveA:
15.34
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.
3NLP_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.29A 3nlpA-5wveA:
undetectable
3nlpB-5wveA:
undetectable		 3nlpA-5wveA:
15.34
3nlpB-5wveA:
15.34
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.
3NLQ_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.28A 3nlqA-5wveA:
undetectable
3nlqB-5wveA:
undetectable		 3nlqA-5wveA:
15.34
3nlqB-5wveA:
15.34
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.
3OHT_A_1N1A1000_2
(P38A)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		3 / 3 GLU A 211
LEU A 203
LEU A 192
 DTP  A 301 (-3.5A)
None
None
 0.62A 3ohtA-2ocpA:
undetectable		 3ohtA-2ocpA:
21.02
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.
3OHT_B_1N1B1000_2
(P38A)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		3 / 3 GLU A 211
LEU A 203
LEU A 192
 DTP  A 301 (-3.5A)
None
None
 0.65A 3ohtB-2ocpA:
undetectable		 3ohtB-2ocpA:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 10 GLN A 111
ARG A 142
PHE A 151
LEU A 155
GLU A 211
 DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
None
DTP  A 301 (-3.5A)
 0.85A 3qeoA-2ocpA:
30.0		 3qeoA-2ocpA:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 10 LEU A  96
GLN A 111
ARG A 142
LEU A 155
GLU A 211
 DTP  A 301 (-4.6A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
None
DTP  A 301 (-3.5A)
 0.78A 3qeoA-2ocpA:
30.0		 3qeoA-2ocpA:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 10 LEU A  96
MET A  99
GLN A 111
ARG A 142
LEU A 155
 DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
None
 0.93A 3qeoA-2ocpA:
30.0		 3qeoA-2ocpA:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 7 LEU A  96
TYR A 100
GLN A 111
PHE A 151
LEU A 155
 DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.3A)
None
 0.83A 3qeoB-2ocpA:
30.4		 3qeoB-2ocpA:
43.71
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 4ig8 2'-5'-OLIGOADENYLATE
SYNTHASE 1
(Homo
sapiens) 		4 / 6 SER A  64
GLU A 233
ASP A 300
ASP A  77
 None
DTP  A 403 ( 4.2A)
None
MG  A 402 (-2.6A)
 1.22A 4blvA-4ig8A:
undetectable		 4blvA-4ig8A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX3_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 VAL A 127
VAL A 324
PHE A 298
GLU A 293
 DTP  A1301 (-4.1A)
None
None
None
 1.28A 4cx3A-5wveA:
undetectable
4cx3B-5wveA:
undetectable		 4cx3A-5wveA:
15.34
4cx3B-5wveA:
15.34
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.
4CX4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 VAL A 127
VAL A 324
PHE A 298
GLU A 293
 DTP  A1301 (-4.1A)
None
None
None
 1.27A 4cx4A-5wveA:
undetectable
4cx4B-5wveA:
undetectable		 4cx4A-5wveA:
15.34
4cx4B-5wveA:
15.34
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.
4CX4_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.29A 4cx4A-5wveA:
undetectable
4cx4B-5wveA:
undetectable		 4cx4A-5wveA:
15.34
4cx4B-5wveA:
15.34
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.
4Y03_A_SALA801_1
(PROTEIN POLYBROMO-1)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		4 / 7 ILE A 214
LEU A 216
ASN A  46
ILE A  47
 None
None
None
DTP  A 301 (-3.8A)
 0.78A 4y03A-2ocpA:
undetectable		 4y03A-2ocpA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADD_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.27A 5addA-5wveA:
undetectable
5addB-5wveA:
undetectable		 5addA-5wveA:
15.34
5addB-5wveA:
15.34
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.
5ADE_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.26A 5adeA-5wveA:
undetectable
5adeB-5wveA:
undetectable		 5adeA-5wveA:
15.34
5adeB-5wveA:
15.34
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.
5E26_A_PAUA602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		4 / 7 GLY A  50
ARG A 142
GLY A  45
ALA A  48
 DTP  A 301 ( 4.5A)
DTP  A 301 (-3.2A)
None
DTP  A 301 (-4.6A)
 0.92A 5e26A-2ocpA:
undetectable
5e26B-2ocpA:
undetectable		 5e26A-2ocpA:
21.98
5e26B-2ocpA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G0P_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 VAL A 127
VAL A 324
PHE A 298
GLU A 293
 DTP  A1301 (-4.1A)
None
None
None
 1.26A 5g0pA-5wveA:
undetectable
5g0pB-5wveA:
undetectable		 5g0pA-5wveA:
15.34
5g0pB-5wveA:
15.34
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.
5G0P_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1
(Homo
sapiens) 		4 / 7 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.28A 5g0pA-5wveA:
undetectable
5g0pB-5wveA:
undetectable		 5g0pA-5wveA:
15.34
5g0pB-5wveA:
15.34
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.
5HP1_A_PPFA602_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 6ar3 GSI-IIC RT
(Geobacillus
stearothermophil
us) 		4 / 6 LYS A  69
ARG A  75
ASP A 138
ASP A 223
 DTP  A 501 (-2.9A)
DTP  A 501 (-4.0A)
MG  A 502 ( 2.8A)
MG  A 502 ( 2.9A)
 1.08A 5hp1A-6ar3A:
9.6		 5hp1A-6ar3A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 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)		 6ar3 GSI-IIC RT
(Geobacillus
stearothermophil
us) 		5 / 6 LYS A  69
ARG A  75
ASP A 138
ASP A 223
LYS A 258
 DTP  A 501 (-2.9A)
DTP  A 501 (-4.0A)
MG  A 502 ( 2.8A)
MG  A 502 ( 2.9A)
DTP  A 501 (-2.8A)
 1.24A 5hp1C-6ar3A:
7.6		 5hp1C-6ar3A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KKZ_E_ASCE1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 6ar3 GSI-IIC RT
(Geobacillus
stearothermophil
us) 		4 / 7 ILE A  79
VAL A  62
ARG A  64
GLN A 191
 U  C   3 ( 4.0A)
None
None
DTP  A 501 (-4.1A)
 1.03A 5kkzC-6ar3A:
undetectable
5kkzE-6ar3A:
undetectable		 5kkzC-6ar3A:
18.52
5kkzE-6ar3A:
21.38
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.
5KKZ_K_ASCK1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 6ar3 GSI-IIC RT
(Geobacillus
stearothermophil
us) 		4 / 7 ILE A  79
VAL A  62
ARG A  64
GLN A 191
 U  C   3 ( 4.0A)
None
None
DTP  A 501 (-4.1A)
 1.05A 5kkzK-6ar3A:
undetectable
5kkzQ-6ar3A:
undetectable		 5kkzK-6ar3A:
21.38
5kkzQ-6ar3A:
18.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MQT_A_STIA302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 12 ILE A  47
GLN A 111
ARG A 142
PHE A 151
SER A 160
GLU A 211
 DTP  A 301 (-3.8A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
None
DTP  A 301 (-3.5A)
 1.10A 5mqtA-2ocpA:
30.1		 5mqtA-2ocpA:
45.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MQT_A_STIA302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		6 / 12 ILE A  47
PRO A 103
GLN A 111
ARG A 142
PHE A 151
GLU A 211
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
 0.78A 5mqtA-2ocpA:
30.1		 5mqtA-2ocpA:
45.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MQT_C_STIC302_1
(DEOXYCYTIDINE KINASE)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		7 / 12 ILE A  47
PRO A 103
GLN A 111
ARG A 142
LEU A 155
GLU A 211
TYR A 218
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
None
DTP  A 301 (-3.5A)
None
 0.74A 5mqtC-2ocpA:
30.5		 5mqtC-2ocpA:
45.59
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.
5NKN_A_LOCA201_1
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		 2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens) 		5 / 12 GLY A  50
PHE A 256
LEU A 248
PHE A  54
TYR A  62
 DTP  A 301 ( 4.5A)
None
None
None
None
 1.42A 5nknA-2ocpA:
undetectable		 5nknA-2ocpA:
15.25