SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'D15'


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.
1QHY_A_CLMA888_0
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Prochlorococcus
marinus;
Prochlorococcus
marinus)
4 / 6 PRO C 104
ALA D  97
GLU D  93
GLU D  98
None
None
GOL  D1532 (-3.0A)
GOL  D1532 (-3.3A)
1.13A 1qhyA-2ynmC:
undetectable
1qhyA-2ynmC:
18.42
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.
1RQP_A_SAMA500_1
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Prochlorococcus
marinus)
4 / 7 ASP D 417
PHE D 179
SER D 403
ARG D 401
EPE  D1529 (-3.0A)
None
EPE  D1529 (-3.0A)
None
1.37A 1rqpB-2ynmD:
undetectable
1rqpB-2ynmD:
20.22
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.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
8 / 12 VAL A  18
ALA A  31
LYS A  33
GLU A  51
LEU A  55
VAL A  64
LEU A 133
ASP A 144
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
None
None
D15  A 500 (-4.5A)
D15  A 500 (-3.7A)
0.66A 1t46A-4aguA:
23.4
1t46A-4aguA:
24.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 12 ALA A  31
GLU A  51
LEU A  55
CYH A  83
HIS A 124
D15  A 500 (-3.4A)
None
None
D15  A 500 (-4.3A)
None
0.35A 1uwhA-4aguA:
24.8
1uwhA-4aguA:
25.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 ALA A  31
LYS A  33
GLU A  51
LEU A  55
CYH A  83
HIS A 124
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
None
D15  A 500 (-4.3A)
None
0.46A 1uwhB-4aguA:
24.6
1uwhB-4aguA:
25.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 12 VAL A  18
ALA A  31
GLU A  51
CYH A  83
HIS A 124
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
None
D15  A 500 (-4.3A)
None
0.39A 1uwjA-4aguA:
24.0
1uwjA-4aguA:
25.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 ILE A  10
VAL A  18
ALA A  31
GLU A  51
CYH A  83
HIS A 124
D15  A 500 (-4.2A)
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
None
D15  A 500 (-4.3A)
None
0.64A 1uwjB-4aguA:
23.9
1uwjB-4aguA:
25.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Prochlorococcus
marinus)
5 / 10 TYR D  28
GLU D 129
GLY D 132
ALA D  16
ALA D 133
None
GOL  D1530 ( 4.4A)
None
None
None
1.17A 2ej3B-2ynmD:
undetectable
2ej3B-2ynmD:
21.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
8 / 12 ILE A  10
VAL A  18
LYS A  33
VAL A  64
PHE A  80
ASN A 131
LEU A 133
ASP A 144
D15  A 500 (-4.2A)
D15  A 500 (-4.6A)
D15  A 500 ( 4.1A)
None
D15  A 500 ( 4.3A)
D15  A 500 (-3.0A)
D15  A 500 (-4.5A)
D15  A 500 (-3.7A)
0.79A 2eufB-4aguA:
31.9
2eufB-4aguA:
36.42
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.
2IVU_A_ZD6A3015_0
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
8 / 12 GLY A  11
VAL A  18
LYS A  33
GLU A  51
LEU A  55
LEU A  78
TYR A  82
LEU A 133
D15  A 500 (-3.8A)
D15  A 500 (-4.6A)
D15  A 500 ( 4.1A)
None
None
None
D15  A 500 (-4.8A)
D15  A 500 (-4.5A)
0.63A 2ivuA-4aguA:
26.1
2ivuA-4aguA:
26.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7U_B_SAMB1299_1
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Prochlorococcus
marinus)
4 / 7 ASP D 417
PHE D 179
SER D 403
ARG D 401
EPE  D1529 (-3.0A)
None
EPE  D1529 (-3.0A)
None
1.37A 2v7uB-2ynmD:
undetectable
2v7uB-2ynmD:
20.04
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.
2YQZ_A_SAMA301_1
(HYPOTHETICAL PROTEIN
TTHA0223)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 5 TYR A  15
GLU A 130
ASP A 126
ASP A 184
D15  A 500 ( 4.1A)
D15  A 500 ( 3.9A)
None
None
1.44A 2yqzA-4aguA:
undetectable
2yqzA-4aguA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YQZ_B_SAMB401_1
(HYPOTHETICAL PROTEIN
TTHA0223)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 5 TYR A  15
GLU A 130
ASP A 126
ASP A 184
D15  A 500 ( 4.1A)
D15  A 500 ( 3.9A)
None
None
1.46A 2yqzB-4aguA:
undetectable
2yqzB-4aguA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
7 / 12 GLY A  11
ALA A  31
LYS A  33
VAL A  64
CYH A  83
LEU A 133
CYH A 143
D15  A 500 (-3.8A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
D15  A 500 (-4.3A)
D15  A 500 (-4.5A)
D15  A 500 ( 4.0A)
0.53A 3c7qA-4aguA:
22.3
3c7qA-4aguA:
27.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FUP_B_MI1B1_1
(TYROSINE-PROTEIN
KINASE JAK2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
7 / 12 GLY A  11
GLY A  13
VAL A  18
ALA A  31
VAL A  64
TYR A  82
LEU A 133
D15  A 500 (-3.8A)
D15  A 500 (-3.6A)
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
None
D15  A 500 (-4.8A)
D15  A 500 (-4.5A)
0.47A 3fupB-4aguA:
24.9
3fupB-4aguA:
26.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
7 / 11 VAL A  18
ALA A  31
VAL A  64
TYR A  82
CYH A  83
LEU A 133
CYH A 143
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
None
D15  A 500 (-4.8A)
D15  A 500 (-4.3A)
D15  A 500 (-4.5A)
D15  A 500 ( 4.0A)
0.63A 3g0eA-4aguA:
21.7
3g0eA-4aguA:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0F_A_B49A9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 11 VAL A  18
ALA A  31
TYR A  82
CYH A  83
LEU A 133
CYH A 143
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 (-4.8A)
D15  A 500 (-4.3A)
D15  A 500 (-4.5A)
D15  A 500 ( 4.0A)
0.68A 3g0fA-4aguA:
22.8
3g0fA-4aguA:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0F_B_B49B9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 10 VAL A  18
ALA A  31
TYR A  82
CYH A  83
LEU A 133
CYH A 143
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 (-4.8A)
D15  A 500 (-4.3A)
D15  A 500 (-4.5A)
D15  A 500 ( 4.0A)
0.62A 3g0fB-4aguA:
23.0
3g0fB-4aguA:
24.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 VAL A  18
ALA A  31
GLU A  51
LEU A  55
HIS A 124
ASP A 144
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
None
None
None
D15  A 500 (-3.7A)
0.96A 3gp0A-4aguA:
28.7
3gp0A-4aguA:
30.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_A_0LIA1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 ALA A  31
GLU A  51
LEU A  63
VAL A  64
HIS A 124
LEU A 133
D15  A 500 (-3.4A)
None
None
None
None
D15  A 500 (-4.5A)
0.60A 3ik3A-4aguA:
22.8
3ik3A-4aguA:
28.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_A_0LIA1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 ALA A  31
GLU A  51
VAL A  64
HIS A 124
LEU A 133
ASP A 144
D15  A 500 (-3.4A)
None
None
None
D15  A 500 (-4.5A)
D15  A 500 (-3.7A)
0.96A 3ik3A-4aguA:
22.8
3ik3A-4aguA:
28.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_B_0LIB2_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 ALA A  31
GLU A  51
LEU A  63
VAL A  64
HIS A 124
LEU A 133
D15  A 500 (-3.4A)
None
None
None
None
D15  A 500 (-4.5A)
0.62A 3ik3B-4aguA:
22.5
3ik3B-4aguA:
28.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_C_SAMC301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Prochlorococcus
marinus)
5 / 12 PRO D 204
GLY D 178
SER D 390
ILE D  46
LEU D 177
None
None
None
PMR  C1414 ( 4.7A)
GOL  D1530 ( 4.6A)
1.31A 3iv6C-2ynmD:
undetectable
3iv6C-2ynmD:
19.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 8 ALA A  31
LYS A  33
GLU A  51
LEU A  78
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
None
0.32A 3lfaA-4aguA:
27.4
3lfaA-4aguA:
30.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus)
5 / 11 THR A  82
THR A 132
GLN A 131
GLY A 117
ALA C  71
EPE  A1298 (-2.7A)
None
GOL  D1532 (-2.7A)
EPE  A1298 (-4.5A)
None
1.29A 3mg0H-2ynmA:
undetectable
3mg0I-2ynmA:
undetectable
3mg0H-2ynmA:
22.19
3mg0I-2ynmA:
22.04
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.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 12 VAL A  18
ALA A  31
LYS A  33
LEU A  55
CYH A  83
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
D15  A 500 (-4.3A)
0.76A 3og7A-4aguA:
24.5
3og7A-4aguA:
24.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
7 / 12 VAL A  18
ALA A  31
GLU A  51
LEU A  55
PHE A  80
TYR A  82
HIS A 124
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
None
None
D15  A 500 ( 4.3A)
D15  A 500 (-4.8A)
None
0.72A 3rgfA-4aguA:
12.7
3rgfA-4aguA:
31.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TI1_A_B49A299_1
(CYCLIN-DEPENDENT
KINASE 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 9 ILE A  10
ALA A  31
VAL A  64
PHE A  80
LEU A 133
D15  A 500 (-4.2A)
D15  A 500 (-3.4A)
None
D15  A 500 ( 4.3A)
D15  A 500 (-4.5A)
0.74A 3ti1A-4aguA:
30.5
3ti1A-4aguA:
40.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_R_CLMR221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 10 TYR A  15
PHE A  35
PHE A  80
LEU A 133
VAL A  64
D15  A 500 ( 4.1A)
None
D15  A 500 ( 4.3A)
D15  A 500 (-4.5A)
None
1.49A 3u9fR-4aguA:
undetectable
3u9fR-4aguA:
20.38
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.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
1hh4 RHO GDP-DISSOCIATION
INHIBITOR 1

(Homo
sapiens)
5 / 12 TYR D 428
ILE D 412
GLY D 374
ILE D 414
LEU D 394
None
GER  D1502 ( 4.3A)
None
None
None
1.02A 3uj6A-1hh4D:
undetectable
3uj6A-1hh4D:
22.63
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.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
7 / 12 ILE A  10
GLY A  13
GLY A  16
VAL A  18
ALA A  31
LYS A  33
VAL A  64
D15  A 500 (-4.2A)
D15  A 500 (-3.6A)
D15  A 500 (-3.7A)
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
0.82A 3v5wA-4aguA:
11.0
3v5wA-4aguA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
7 / 12 ILE A  10
GLY A  16
VAL A  18
ALA A  31
LYS A  33
VAL A  64
LEU A 133
D15  A 500 (-4.2A)
D15  A 500 (-3.7A)
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
D15  A 500 (-4.5A)
1.09A 3v5wA-4aguA:
11.0
3v5wA-4aguA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 GLY A  11
ALA A  31
GLU A  51
LEU A  55
CYH A  83
CYH A 143
D15  A 500 (-3.8A)
D15  A 500 (-3.4A)
None
None
D15  A 500 (-4.3A)
D15  A 500 ( 4.0A)
0.77A 3wzdA-4aguA:
22.6
3wzdA-4aguA:
27.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 VAL A  18
ALA A  31
GLU A  51
LEU A  55
CYH A  83
CYH A 143
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
None
None
D15  A 500 (-4.3A)
D15  A 500 ( 4.0A)
0.68A 3wzdA-4aguA:
22.6
3wzdA-4aguA:
27.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 8 VAL A  64
CYH A  83
LEU A 133
CYH A 143
ASP A 144
None
D15  A 500 (-4.3A)
D15  A 500 (-4.5A)
D15  A 500 ( 4.0A)
D15  A 500 (-3.7A)
0.62A 3wzeA-4aguA:
22.9
3wzeA-4aguA:
27.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
7 / 12 VAL A  18
ALA A  31
LYS A  33
GLU A  51
VAL A  64
LEU A 133
CYH A 143
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
None
D15  A 500 (-4.5A)
D15  A 500 ( 4.0A)
0.51A 4ag8A-4aguA:
22.8
4ag8A-4aguA:
27.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
7 / 12 VAL A  18
ALA A  31
LYS A  33
GLU A  51
LEU A  55
LEU A 133
CYH A 143
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
None
D15  A 500 (-4.5A)
D15  A 500 ( 4.0A)
0.60A 4agcA-4aguA:
22.2
4agcA-4aguA:
25.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 11 ALA A  31
LYS A  33
VAL A  64
CYH A  83
LEU A 133
CYH A 143
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
D15  A 500 (-4.3A)
D15  A 500 (-4.5A)
D15  A 500 ( 4.0A)
0.61A 4agdA-4aguA:
22.0
4agdA-4aguA:
25.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AN2_A_EUIA1382_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 LEU A  78
LEU A  55
ASP A 126
LYS A 128
ASN A 131
GLY A 146
None
None
None
D15  A 500 ( 4.8A)
D15  A 500 (-3.0A)
None
1.48A 4an2A-4aguA:
24.1
4an2A-4aguA:
28.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ASD_A_BAXA1500_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 6 VAL A  64
CYH A  83
LEU A 133
CYH A 143
None
D15  A 500 (-4.3A)
D15  A 500 (-4.5A)
D15  A 500 ( 4.0A)
0.28A 4asdA-4aguA:
22.5
4asdA-4aguA:
25.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BKJ_A_STIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 VAL A  18
ALA A  31
GLU A  51
TYR A  82
LEU A 133
ASP A 144
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
None
D15  A 500 (-4.8A)
D15  A 500 (-4.5A)
D15  A 500 (-3.7A)
0.87A 4bkjA-4aguA:
22.9
4bkjA-4aguA:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
7 / 12 ALA A  31
LYS A  33
GLU A  51
LEU A  55
HIS A 124
LEU A 133
ASP A 144
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
None
None
D15  A 500 (-4.5A)
D15  A 500 (-3.7A)
0.82A 4c8bA-4aguA:
24.3
4c8bA-4aguA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
7 / 12 ALA A  31
LYS A  33
GLU A  51
LEU A  55
HIS A 124
LEU A 133
ASP A 144
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
None
None
D15  A 500 (-4.5A)
D15  A 500 (-3.7A)
0.92A 4c8bB-4aguA:
24.2
4c8bB-4aguA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 10 GLY A  11
GLY A  13
VAL A  18
ALA A  31
TYR A  82
LEU A 133
D15  A 500 (-3.8A)
D15  A 500 (-3.6A)
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 (-4.8A)
D15  A 500 (-4.5A)
0.54A 4ckjA-4aguA:
26.0
4ckjA-4aguA:
26.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LNX_A_T44A501_1
(THYROID HORMONE
RECEPTOR ALPHA)
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Prochlorococcus
marinus)
4 / 6 GLU D  93
GLN D 103
VAL A 133
THR A 132
GOL  D1532 (-3.0A)
None
None
None
1.24A 4lnxA-2ynmD:
undetectable
4lnxA-2ynmD:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0U_A_ADNA501_1
(AURORA KINASE A)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 6 VAL A  18
ALA A  31
LYS A  33
LEU A 133
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
D15  A 500 (-4.5A)
0.63A 4o0uA-4aguA:
20.3
4o0uA-4aguA:
26.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0U_A_ADNA501_1
(AURORA KINASE A)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 6 VAL A  18
ALA A  31
THR A  86
LEU A 133
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.5A)
D15  A 500 (-4.5A)
0.61A 4o0uA-4aguA:
20.3
4o0uA-4aguA:
26.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 8 ILE A  10
VAL A  18
ALA A  31
ASN A 131
LEU A 133
D15  A 500 (-4.2A)
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 (-3.0A)
D15  A 500 (-4.5A)
0.60A 4ogrA-4aguA:
31.8
4ogrA-4aguA:
36.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 7 ALA A  31
CYH A  83
ASN A 131
LEU A 133
ASP A 144
D15  A 500 (-3.4A)
D15  A 500 (-4.3A)
D15  A 500 (-3.0A)
D15  A 500 (-4.5A)
D15  A 500 (-3.7A)
0.62A 4ogrE-4aguA:
31.2
4ogrE-4aguA:
36.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 9 ILE A  10
VAL A  18
ALA A  31
CYH A  83
ASN A 131
LEU A 133
D15  A 500 (-4.2A)
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 (-4.3A)
D15  A 500 (-3.0A)
D15  A 500 (-4.5A)
0.55A 4ogrI-4aguA:
31.6
4ogrI-4aguA:
36.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
8 / 12 VAL A  18
ALA A  31
LYS A  33
GLU A  51
CYH A  83
CYH A 122
LEU A 133
ASP A 144
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
D15  A 500 (-4.3A)
None
D15  A 500 (-4.5A)
D15  A 500 (-3.7A)
0.73A 4r7iA-4aguA:
22.7
4r7iA-4aguA:
25.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 12 ALA A  31
GLU A  51
CYH A 122
HIS A 124
LEU A 133
D15  A 500 (-3.4A)
None
None
None
D15  A 500 (-4.5A)
0.65A 4tyjA-4aguA:
23.6
4tyjA-4aguA:
25.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
8 / 12 ALA A  31
LYS A  33
LEU A  55
CYH A  83
CYH A 122
HIS A 124
LEU A 133
CYH A 143
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
D15  A 500 (-4.3A)
None
None
D15  A 500 (-4.5A)
D15  A 500 ( 4.0A)
0.56A 4u0iA-4aguA:
23.2
4u0iA-4aguA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
8 / 12 ALA A  31
LYS A  33
LEU A  55
CYH A  83
HIS A 124
LEU A 133
CYH A 143
ASP A 144
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
D15  A 500 (-4.3A)
None
D15  A 500 (-4.5A)
D15  A 500 ( 4.0A)
D15  A 500 (-3.7A)
0.72A 4u0iA-4aguA:
23.2
4u0iA-4aguA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 12 VAL A  18
ALA A  31
LYS A  33
CYH A  83
PHE A 145
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
D15  A 500 (-4.3A)
None
0.66A 4xv2A-4aguA:
15.8
4xv2A-4aguA:
23.98
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.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 ALA A  31
LYS A  33
LEU A  55
CYH A  83
ASP A 144
PHE A 145
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
D15  A 500 (-4.3A)
D15  A 500 (-3.7A)
None
1.02A 4xv2B-4aguA:
24.4
4xv2B-4aguA:
23.98
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.
5C0O_H_SAMH301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Prochlorococcus
marinus)
5 / 12 ALA D 133
GLY D 178
GLY D 173
LEU D 205
LEU D 177
None
None
None
None
GOL  D1530 ( 4.6A)
1.01A 5c0oH-2ynmD:
undetectable
5c0oH-2ynmD:
18.87
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.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 12 VAL A  18
ALA A  31
LYS A  33
CYH A  83
PHE A 145
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
D15  A 500 (-4.3A)
None
0.70A 5cswA-4aguA:
23.9
5cswA-4aguA:
25.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 12 VAL A  18
ALA A  31
LYS A  33
LEU A  55
PHE A 145
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
None
0.87A 5cswA-4aguA:
23.9
5cswA-4aguA:
25.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSW_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 12 VAL A  18
ALA A  31
LYS A  33
CYH A  83
PHE A 145
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
D15  A 500 (-4.3A)
None
0.65A 5cswB-4aguA:
23.7
5cswB-4aguA:
25.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSW_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 12 VAL A  18
ALA A  31
LYS A  33
LEU A  55
PHE A 145
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
None
0.85A 5cswB-4aguA:
23.7
5cswB-4aguA:
25.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 VAL A  18
ALA A  31
LYS A  33
TYR A  82
CYH A 143
GLY A 146
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
D15  A 500 (-4.8A)
D15  A 500 ( 4.0A)
None
1.02A 5hesB-4aguA:
22.8
5hesB-4aguA:
24.71
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.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 ALA A  31
LYS A  33
GLU A  51
LEU A  55
CYH A  83
HIS A 124
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
None
D15  A 500 (-4.3A)
None
0.55A 5hi2A-4aguA:
24.6
5hi2A-4aguA:
25.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 7 ILE A  10
GLY A  11
CYH A  83
PHE A 145
D15  A 500 (-4.2A)
D15  A 500 (-3.8A)
D15  A 500 (-4.3A)
None
0.79A 5hieA-4aguA:
23.8
5hieA-4aguA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 7 ILE A  10
GLY A  11
CYH A  83
PHE A 145
D15  A 500 (-4.2A)
D15  A 500 (-3.8A)
D15  A 500 (-4.3A)
None
0.81A 5hieB-4aguA:
23.6
5hieB-4aguA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 8 ILE A  10
GLY A  11
CYH A  83
PHE A 145
D15  A 500 (-4.2A)
D15  A 500 (-3.8A)
D15  A 500 (-4.3A)
None
0.79A 5hieD-4aguA:
23.9
5hieD-4aguA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 ILE A  10
ALA A  31
LYS A  33
GLU A  51
TYR A  82
LEU A 133
D15  A 500 (-4.2A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
D15  A 500 (-4.8A)
D15  A 500 (-4.5A)
0.76A 5i9yA-4aguA:
24.2
5i9yA-4aguA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)
1hh4 RHO GDP-DISSOCIATION
INHIBITOR 1

(Homo
sapiens)
4 / 6 ASP D 440
ILE D 429
TYR D 428
TYR D 410
None
None
None
GER  D1502 (-4.9A)
1.29A 5igyA-1hh4D:
undetectable
5igyA-1hh4D:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)
1hh4 RHO GDP-DISSOCIATION
INHIBITOR 1

(Homo
sapiens)
4 / 6 ASP D 440
ILE D 429
TYR D 428
TYR D 410
None
None
None
GER  D1502 (-4.9A)
1.25A 5ih0A-1hh4D:
0.0
5ih0A-1hh4D:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IZJ_F_AZ1F2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR-DAR)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 7 GLY A  11
GLY A  13
GLY A  16
VAL A  18
D15  A 500 (-3.8A)
D15  A 500 (-3.6A)
D15  A 500 (-3.7A)
D15  A 500 (-4.6A)
0.29A 5izjB-4aguA:
25.9
5izjB-4aguA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IZJ_G_AZ1G2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 7 GLY A  11
GLY A  13
VAL A  18
LYS A  33
D15  A 500 (-3.8A)
D15  A 500 (-3.6A)
D15  A 500 (-4.6A)
D15  A 500 ( 4.1A)
0.30A 5izjA-4aguA:
26.4
5izjA-4aguA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J5X_B_AZ1B2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAL-DAR-DAR-
DAR-DAR)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 7 GLY A  11
GLY A  13
VAL A  18
LYS A  33
D15  A 500 (-3.8A)
D15  A 500 (-3.6A)
D15  A 500 (-4.6A)
D15  A 500 ( 4.1A)
0.41A 5j5xA-4aguA:
26.3
5j5xA-4aguA:
24.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
7 / 12 ILE A  10
GLY A  11
VAL A  18
ALA A  31
VAL A  64
PHE A  80
LEU A 133
D15  A 500 (-4.2A)
D15  A 500 (-3.8A)
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
None
D15  A 500 ( 4.3A)
D15  A 500 (-4.5A)
0.64A 5l2iA-4aguA:
16.4
5l2iA-4aguA:
35.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
7 / 12 ILE A  10
GLY A  11
VAL A  18
ALA A  31
VAL A  64
PHE A  80
LEU A 133
D15  A 500 (-4.2A)
D15  A 500 (-3.8A)
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
None
D15  A 500 ( 4.3A)
D15  A 500 (-4.5A)
0.75A 5l2tA-4aguA:
17.1
5l2tA-4aguA:
35.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MO4_A_NILA601_2
(TYROSINE-PROTEIN
KINASE ABL1)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
5 / 12 ALA A  31
LEU A  63
VAL A  64
HIS A 124
LEU A 133
D15  A 500 (-3.4A)
None
None
None
D15  A 500 (-4.5A)
0.52A 5mo4A-4aguA:
19.5
5mo4A-4aguA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ODC_G_ACTG704_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Prochlorococcus
marinus;
Prochlorococcus
marinus)
4 / 5 ALA A 162
GLN D 101
LYS A 134
GLN D 103
None
GOL  D1532 (-3.3A)
GOL  D1532 (-4.0A)
None
1.20A 5odcA-2ynmA:
1.7
5odcG-2ynmA:
1.6
5odcA-2ynmA:
19.38
5odcG-2ynmA:
19.38
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.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 8 ALA A  31
GLU A  51
CYH A  83
LEU A 133
D15  A 500 (-3.4A)
None
D15  A 500 (-4.3A)
D15  A 500 (-4.5A)
0.50A 5owrA-4aguA:
23.3
5owrA-4aguA:
28.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 8 GLU A  51
CYH A  83
LEU A 133
ASP A 144
None
D15  A 500 (-4.3A)
D15  A 500 (-4.5A)
D15  A 500 (-3.7A)
0.74A 5owrA-4aguA:
23.3
5owrA-4aguA:
28.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCY_A_DB8A401_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 VAL A  18
ALA A  31
LYS A  33
GLU A  51
LEU A  78
CYH A  83
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
None
D15  A 500 (-4.3A)
0.70A 5vcyA-4aguA:
26.8
5vcyA-4aguA:
24.04
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.
5YF9_B_NIOB401_1
(CASEIN KINASE II
SUBUNIT ALPHA')
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
4 / 7 VAL A  18
LYS A  33
PHE A  80
ASP A 144
D15  A 500 (-4.6A)
D15  A 500 ( 4.1A)
D15  A 500 ( 4.3A)
D15  A 500 (-3.7A)
0.88A 5yf9B-4aguA:
29.3
5yf9B-4aguA:
14.04
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.
5YU9_A_1E8A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 GLY A  11
VAL A  18
ALA A  31
LYS A  33
LEU A  78
LEU A 133
D15  A 500 (-3.8A)
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
D15  A 500 (-4.5A)
0.60A 5yu9A-4aguA:
22.2
5yu9A-4aguA:
13.62
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.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo
sapiens)
6 / 12 GLY A  11
VAL A  18
ALA A  31
LYS A  33
LEU A  78
LEU A 133
D15  A 500 (-3.8A)
D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
None
D15  A 500 (-4.5A)
0.65A 5yu9B-4aguA:
22.4
5yu9B-4aguA:
13.62