SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '89I'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		8 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
CYH A 123
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-4.4A)
None
 0.61A 1bx4A-2i6bA:
48.1		 1bx4A-2i6bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
GLY A  63
GLY A  64
ASN A  68
LEU A 138
PHE A 170
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
89I  A 500 (-3.8A)
None
 0.55A 1bx4A-2i6bA:
48.1		 1bx4A-2i6bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		9 / 12 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 123
ALA A 136
LEU A 138
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
89I  A 500 (-4.4A)
None
 0.58A 1bx4A-2i6bA:
48.1		 1bx4A-2i6bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DGM_A_ADNA375_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 9 ASN A  14
ASP A  18
GLY A  64
ASN A  68
CYH A 123
LEU A 134
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
None
None
None
 0.55A 1dgmA-2i6bA:
43.0		 1dgmA-2i6bA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LII_A_ADNA699_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		8 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
CYH A 123
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-4.4A)
None
 0.56A 1liiA-2i6bA:
39.5		 1liiA-2i6bA:
32.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LII_A_ADNA699_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		8 / 12 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 123
LEU A 138
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-4.4A)
None
 0.57A 1liiA-2i6bA:
39.5		 1liiA-2i6bA:
32.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
CYH A 123
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
None
 0.48A 1likA-2i6bA:
39.4		 1likA-2i6bA:
32.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 123
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
None
None
 0.52A 1likA-2i6bA:
39.4		 1likA-2i6bA:
32.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C49_A_ADNA1301_1
(SUGAR KINASE MJ0406)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		5 / 12 ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 None
None
89I  A 500 (-3.5A)
None
None
 0.43A 2c49A-2i6bA:
24.8		 2c49A-2i6bA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C49_B_ADNB1301_1
(SUGAR KINASE MJ0406)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		4 / 7 ASP A  18
GLY A  63
GLY A  64
ASN A  68
 None
None
89I  A 500 (-3.5A)
None
 0.62A 2c49B-2i6bA:
25.9		 2c49B-2i6bA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JJP_A_KLNA413_1
(CYTOCHROME P450
113A1)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		5 / 12 ALA A 141
LEU A 138
ALA A 139
PHE A  49
ILE A 135
 None
89I  A 500 (-4.4A)
None
None
None
 0.97A 2jjpA-2i6bA:
undetectable		 2jjpA-2i6bA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		5 / 12 ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 None
None
89I  A 500 (-3.5A)
None
None
 0.39A 2pkkA-2i6bA:
23.7		 2pkkA-2i6bA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		5 / 12 GLY A  63
GLY A  64
ASN A  68
ALA A 168
ASP A 300
 None
89I  A 500 (-3.5A)
None
None
None
 0.98A 2pkkA-2i6bA:
23.7		 2pkkA-2i6bA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		5 / 12 ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 None
None
89I  A 500 (-3.5A)
None
None
 0.40A 2pkmA-2i6bA:
23.5		 2pkmA-2i6bA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEK_A_DIFA1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		4 / 8 ASN A  14
PHE A 171
TYR A 112
PHE A  10
 89I  A 500 (-4.0A)
None
None
None
 1.17A 2wekA-2i6bA:
4.4		 2wekA-2i6bA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEK_B_DIFB1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		4 / 8 ASN A  14
PHE A 171
TYR A 112
PHE A  10
 89I  A 500 (-4.0A)
None
None
None
 1.21A 2wekB-2i6bA:
5.4		 2wekB-2i6bA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		5 / 12 LEU A  28
ALA A 124
LEU A  52
ALA A 136
HIS A  45
 None
None
None
89I  A 500 (-3.4A)
None
 1.33A 3ou7C-2i6bA:
3.2		 3ou7C-2i6bA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.62A 3uboA-2i6bA:
33.0		 3uboA-2i6bA:
27.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  64
ASN A  68
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
None
None
 0.98A 3uboA-2i6bA:
33.0		 3uboA-2i6bA:
27.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASP A  18
GLY A  63
GLY A  64
SER A  65
ASN A  68
ASP A 300
 None
None
89I  A 500 (-3.5A)
89I  A 500 (-2.3A)
None
None
 0.76A 3uboA-2i6bA:
33.0		 3uboA-2i6bA:
27.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASP A  18
GLY A  64
SER A  65
ASN A  68
GLY A 297
ASP A 300
 None
89I  A 500 (-3.5A)
89I  A 500 (-2.3A)
None
None
None
 1.03A 3uboA-2i6bA:
33.0		 3uboA-2i6bA:
27.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_B_ADNB353_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.61A 3uboB-2i6bA:
33.2		 3uboB-2i6bA:
27.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_B_ADNB353_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
89I  A 500 (-4.4A)
None
 0.87A 3uboB-2i6bA:
33.2		 3uboB-2i6bA:
27.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.53A 3uq6A-2i6bA:
41.8		 3uq6A-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 0.71A 3uq6A-2i6bA:
41.8		 3uq6A-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.61A 3uq6A-2i6bA:
41.8		 3uq6A-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 LEU A  40
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 1.06A 3uq6A-2i6bA:
41.8		 3uq6A-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.51A 3uq6B-2i6bA:
41.4		 3uq6B-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 0.66A 3uq6B-2i6bA:
41.4		 3uq6B-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASP A  18
LEU A  40
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 None
89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.59A 3uq6B-2i6bA:
41.4		 3uq6B-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 LEU A  40
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 0.93A 3uq6B-2i6bA:
41.4		 3uq6B-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.55A 3vaqA-2i6bA:
41.6		 3vaqA-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 0.69A 3vaqA-2i6bA:
41.6		 3vaqA-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.64A 3vaqA-2i6bA:
41.6		 3vaqA-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 LEU A  40
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 1.03A 3vaqA-2i6bA:
41.6		 3vaqA-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.52A 3vaqB-2i6bA:
42.1		 3vaqB-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 0.67A 3vaqB-2i6bA:
42.1		 3vaqB-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASP A  18
LEU A  40
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 None
89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.62A 3vaqB-2i6bA:
42.1		 3vaqB-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 LEU A  40
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 0.95A 3vaqB-2i6bA:
42.1		 3vaqB-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.53A 3vasA-2i6bA:
41.7		 3vasA-2i6bA:
36.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 0.68A 3vasA-2i6bA:
41.7		 3vasA-2i6bA:
36.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.62A 3vasA-2i6bA:
41.7		 3vasA-2i6bA:
36.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 LEU A  40
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 1.03A 3vasA-2i6bA:
41.7		 3vasA-2i6bA:
36.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.48A 3vasB-2i6bA:
42.0		 3vasB-2i6bA:
36.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 0.70A 3vasB-2i6bA:
42.0		 3vasB-2i6bA:
36.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.56A 3vasB-2i6bA:
42.0		 3vasB-2i6bA:
36.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 LEU A  40
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 0.99A 3vasB-2i6bA:
42.0		 3vasB-2i6bA:
36.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DC3_A_ADNA401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		8 / 12 ASN A  14
ASP A  18
LEU A  40
GLY A  63
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 ( 4.8A)
None
None
89I  A 500 (-4.4A)
None
None
 0.92A 4dc3A-2i6bA:
41.5		 4dc3A-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		9 / 12 ASN A  14
ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 1.00A 4dc3B-2i6bA:
41.8		 4dc3B-2i6bA:
36.10
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.
4E3A_A_ADNA500_1
(SUGAR KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.77A 4e3aA-2i6bA:
33.1		 4e3aA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.77A 4e3aB-2i6bA:
33.0		 4e3aB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 1.12A 4e3aB-2i6bA:
33.0		 4e3aB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.56A 4jksA-2i6bA:
33.2		 4jksA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKS_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.56A 4jksB-2i6bA:
33.2		 4jksB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKU_A_ADNA500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.55A 4jkuA-2i6bA:
33.1		 4jkuA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKU_B_ADNB500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.80A 4jkuB-2i6bA:
33.1		 4jkuB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_A_ADNA401_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.55A 4k8cA-2i6bA:
33.1		 4k8cA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_B_ADNB401_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.55A 4k8cB-2i6bA:
33.1		 4k8cB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_A_ADNA401_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.56A 4k8kA-2i6bA:
33.1		 4k8kA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_B_ADNB403_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.55A 4k8kB-2i6bA:
33.1		 4k8kB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8P_A_ADNA401_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.57A 4k8pA-2i6bA:
33.2		 4k8pA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8P_A_ADNA401_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
89I  A 500 (-4.4A)
None
 0.82A 4k8pA-2i6bA:
33.2		 4k8pA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8P_B_ADNB401_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.80A 4k8pB-2i6bA:
33.2		 4k8pB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8T_A_ADNA401_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.80A 4k8tA-2i6bA:
33.0		 4k8tA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8T_B_ADNB401_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.79A 4k8tB-2i6bA:
33.0		 4k8tB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K93_A_ADNA401_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.78A 4k93A-2i6bA:
33.0		 4k93A-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K93_B_ADNB402_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.78A 4k93B-2i6bA:
32.9		 4k93B-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9C_A_ADNA401_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.81A 4k9cA-2i6bA:
33.1		 4k9cA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9C_B_ADNB401_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.79A 4k9cB-2i6bA:
33.1		 4k9cB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9I_A_ADNA401_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.78A 4k9iA-2i6bA:
33.1		 4k9iA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9I_B_ADNB401_1
(SUGAR KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.79A 4k9iB-2i6bA:
33.1		 4k9iB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAD_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.80A 4kadA-2i6bA:
33.0		 4kadA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAD_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.80A 4kadB-2i6bA:
33.1		 4kadB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.55A 4kahA-2i6bA:
33.1		 4kahA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_B_ADNB502_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.55A 4kahB-2i6bA:
33.1		 4kahB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.56A 4kalA-2i6bA:
33.0		 4kalA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.57A 4kalB-2i6bA:
33.1		 4kalB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.56A 4kanA-2i6bA:
33.2		 4kanA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.56A 4kanB-2i6bA:
33.1		 4kanB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.53A 4kbeA-2i6bA:
33.2		 4kbeA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.55A 4kbeB-2i6bA:
33.2		 4kbeB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.57A 4lbgA-2i6bA:
33.1		 4lbgA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.56A 4lbgB-2i6bA:
33.1		 4lbgB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBX_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.80A 4lbxA-2i6bA:
33.1		 4lbxA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBX_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.81A 4lbxB-2i6bA:
33.1		 4lbxB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LC4_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.81A 4lc4A-2i6bA:
33.0		 4lc4A-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LC4_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.81A 4lc4B-2i6bA:
33.1		 4lc4B-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.55A 4lcaA-2i6bA:
33.0		 4lcaA-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.55A 4lcaB-2i6bA:
33.1		 4lcaB-2i6bA:
28.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		8 / 12 ASN A  14
ASP A  18
GLY A  64
ASN A  68
CYH A 123
ALA A 136
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
None
None
 0.82A 4n09A-2i6bA:
42.8		 4n09A-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 ASN A  14
GLY A  64
ASN A  68
PHE A 170
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
89I  A 500 (-3.5A)
None
89I  A 500 (-3.8A)
None
None
 0.52A 4n09A-2i6bA:
42.8		 4n09A-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		5 / 12 ASP A  18
LEU A  40
CYH A 123
ALA A 136
ASN A  68
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.4A)
None
 1.20A 4n09A-2i6bA:
42.8		 4n09A-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		8 / 12 ASP A  18
LEU A  40
GLY A  64
ASN A  68
CYH A 123
ALA A 136
GLY A 297
ASP A 300
 None
89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
None
None
 0.77A 4n09A-2i6bA:
42.8		 4n09A-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		9 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
CYH A 123
ALA A 136
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
None
None
 0.77A 4n09B-2i6bA:
42.8		 4n09B-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
GLY A  63
GLY A  64
ASN A  68
PHE A 170
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-3.8A)
None
None
 0.58A 4n09B-2i6bA:
42.8		 4n09B-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		9 / 12 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 123
ALA A 136
GLY A 297
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
None
None
 0.70A 4n09B-2i6bA:
42.8		 4n09B-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 LEU A  40
GLY A  64
ASN A  68
CYH A 123
ALA A 136
GLY A 297
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
None
 1.34A 4n09B-2i6bA:
42.8		 4n09B-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		10 / 12 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 123
ALA A 136
LEU A 138
GLY A 297
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
89I  A 500 (-4.4A)
None
None
 0.76A 4n09C-2i6bA:
42.8		 4n09C-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 GLY A  63
ASN A  68
CYH A 123
ALA A 136
LEU A 138
GLY A 297
 None
None
None
89I  A 500 (-3.4A)
89I  A 500 (-4.4A)
None
 1.48A 4n09C-2i6bA:
42.8		 4n09C-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 GLY A  63
GLY A  64
ASN A  68
LEU A 138
PHE A 170
GLY A 297
ASP A 300
 None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
89I  A 500 (-3.8A)
None
None
 0.75A 4n09C-2i6bA:
42.8		 4n09C-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 LEU A  40
GLY A  64
ASN A  68
CYH A 123
ALA A 136
GLY A 297
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
None
 1.33A 4n09C-2i6bA:
42.8		 4n09C-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		8 / 12 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
CYH A 123
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
None
None
 0.67A 4n09D-2i6bA:
42.8		 4n09D-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		7 / 12 ASN A  14
GLY A  63
GLY A  64
ASN A  68
PHE A 170
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-3.8A)
None
None
 0.54A 4n09D-2i6bA:
42.8		 4n09D-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		9 / 12 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 123
ALA A 136
GLY A 297
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
None
None
 0.67A 4n09D-2i6bA:
42.8		 4n09D-2i6bA:
40.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 LEU A  40
GLY A  64
ASN A  68
CYH A 123
ALA A 136
GLY A 297
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
None
 1.33A 4n09D-2i6bA:
42.8		 4n09D-2i6bA:
40.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		5 / 12 ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 None
None
89I  A 500 (-3.5A)
None
None
 0.39A 4ubeA-2i6bA:
23.6		 4ubeA-2i6bA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		5 / 12 GLY A  63
GLY A  64
ASN A  68
ALA A 168
ASP A 300
 None
89I  A 500 (-3.5A)
None
None
None
 0.97A 4ubeA-2i6bA:
23.6		 4ubeA-2i6bA:
23.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		9 / 12 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 123
ALA A 136
LEU A 138
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
89I  A 500 (-4.4A)
None
 0.58A 5kb5A-2i6bA:
47.2		 5kb5A-2i6bA:
86.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		6 / 12 GLY A  64
ASN A  68
LEU A 138
PHE A 170
GLY A 297
ASP A 300
 89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
89I  A 500 (-3.8A)
None
None
 0.66A 5kb5A-2i6bA:
47.2		 5kb5A-2i6bA:
86.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 2i6b ADENOSINE KINASE
(Homo
sapiens) 		8 / 12 LEU A  40
GLY A  64
ASN A  68
CYH A 123
ALA A 136
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
89I  A 500 (-4.4A)
None
None
 1.04A 5kb5A-2i6bA:
47.2		 5kb5A-2i6bA:
86.50