SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1nxk'

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.
1E06_B_IPBB600_0
(ODORANT-BINDING
PROTEIN)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 4 ILE A 170
MET A 253
VAL A 331
GLY A 171
None
1.31A 1e06B-1nxkA:
0.4
1e06B-1nxkA:
19.12
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.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
8 / 12 LEU A  70
GLY A  71
VAL A  78
ALA A  91
ASN A 191
LEU A 193
THR A 206
ASP A 207
STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 (-4.5A)
STU  A 401 (-4.7A)
STU  A 401 (-3.2A)
STU  A 401 (-3.6A)
0.72A 1fmoE-1nxkA:
22.4
1fmoE-1nxkA:
27.88
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.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
8 / 12 LEU A  70
GLY A  71
VAL A  78
ALA A  91
VAL A 118
ASN A 191
THR A 206
ASP A 207
STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
None
STU  A 401 (-4.5A)
STU  A 401 (-3.2A)
STU  A 401 (-3.6A)
0.64A 1fmoE-1nxkA:
22.4
1fmoE-1nxkA:
27.88
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.
1MUO_A_ADNA1_1
(AURORA-RELATED
KINASE 1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 9 LEU A  70
GLY A  71
VAL A  78
ALA A  91
LEU A 193
STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 (-4.7A)
0.51A 1muoA-1nxkA:
7.8
1muoA-1nxkA:
28.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA8_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
3 / 3 ASP A  97
LYS A 100
ARG A 103
None
1.18A 1ra8A-1nxkA:
undetectable
1ra8A-1nxkA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA8_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
3 / 3 ASP A 245
LYS A 212
ARG A 103
None
1.19A 1ra8A-1nxkA:
undetectable
1ra8A-1nxkA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S8F_A_BEZA1501_0
(RAS-RELATED PROTEIN
RAB-9A)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 5 ILE A 302
TRP A 291
LEU A 306
PRO A 262
None
1.35A 1s8fA-1nxkA:
0.1
1s8fB-1nxkA:
0.0
1s8fA-1nxkA:
19.90
1s8fB-1nxkA:
19.90
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.
2FUM_A_MIXA539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
8 / 12 LEU A  70
GLY A  71
VAL A  78
ALA A  91
ASP A 186
LYS A 188
ASN A 191
ASP A 207
STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
None
None
STU  A 401 (-4.5A)
STU  A 401 (-3.6A)
0.72A 2fumA-1nxkA:
23.4
2fumA-1nxkA:
24.52
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.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
8 / 12 LEU A  70
GLY A  71
VAL A  78
ALA A  91
MET A 138
LYS A 188
ASN A 191
ASP A 207
STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 (-3.2A)
None
STU  A 401 (-4.5A)
STU  A 401 (-3.6A)
0.76A 2fumB-1nxkA:
23.4
2fumB-1nxkA:
24.52
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.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
6 / 12 LEU A  70
GLY A  71
VAL A  78
ALA A  91
MET A 138
ASN A 191
STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 (-3.2A)
STU  A 401 (-4.5A)
0.54A 2fumC-1nxkA:
21.6
2fumC-1nxkA:
24.52
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
8 / 12 LEU A  70
GLY A  71
VAL A  78
ALA A  91
MET A 138
LYS A 188
ASN A 191
ASP A 207
STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 (-3.2A)
None
STU  A 401 (-4.5A)
STU  A 401 (-3.6A)
0.85A 2fumD-1nxkA:
21.6
2fumD-1nxkA:
24.52
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.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 6 LEU A  70
LYS A  93
VAL A 118
ILE A 136
ARG A 185
STU  A 401 (-3.9A)
STU  A 401 ( 4.5A)
None
None
None
0.90A 2hyyA-1nxkA:
19.1
2hyyA-1nxkA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HYY_B_STIB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 6 LEU A  70
LYS A  93
VAL A 118
ILE A 136
STU  A 401 (-3.9A)
STU  A 401 ( 4.5A)
None
None
0.50A 2hyyB-1nxkA:
19.3
2hyyB-1nxkA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QE6_A_SAMA400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 12 ILE A 136
GLY A  76
ASP A  97
ARG A 102
GLY A 209
None
0.83A 2qe6A-1nxkA:
undetectable
2qe6A-1nxkA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZLC_A_VDXA500_1
(VITAMIN D3 RECEPTOR)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 12 TYR A 176
VAL A 118
VAL A 123
LEU A  95
LEU A  92
None
1.19A 2zlcA-1nxkA:
0.0
2zlcA-1nxkA:
20.62
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.
3CJT_C_SAMC302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 12 GLY A 171
LEU A 205
ILE A 325
LEU A 249
LEU A 305
None
1.01A 3cjtC-1nxkA:
undetectable
3cjtC-1nxkA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_A_NILA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 10 LEU A  70
VAL A  78
LYS A  93
VAL A 118
ILE A 136
STU  A 401 (-3.9A)
STU  A 401 (-4.7A)
STU  A 401 ( 4.5A)
None
None
0.52A 3cs9A-1nxkA:
19.3
3cs9A-1nxkA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_B_NILB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 9 LEU A  70
VAL A  78
LYS A  93
ILE A 136
LEU A 193
STU  A 401 (-3.9A)
STU  A 401 (-4.7A)
STU  A 401 ( 4.5A)
None
STU  A 401 (-4.7A)
0.71A 3cs9B-1nxkA:
19.8
3cs9B-1nxkA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_B_NILB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
6 / 9 LEU A  70
VAL A  78
LYS A  93
VAL A 118
ILE A 136
LEU A 141
STU  A 401 (-3.9A)
STU  A 401 (-4.7A)
STU  A 401 ( 4.5A)
None
None
STU  A 401 (-3.9A)
1.18A 3cs9B-1nxkA:
19.8
3cs9B-1nxkA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_C_NILC600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 9 LEU A  70
VAL A  78
LYS A  93
VAL A 118
ILE A 136
STU  A 401 (-3.9A)
STU  A 401 (-4.7A)
STU  A 401 ( 4.5A)
None
None
0.55A 3cs9C-1nxkA:
19.6
3cs9C-1nxkA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_D_NILD600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 6 LEU A  70
VAL A  78
LYS A  93
LEU A 193
STU  A 401 (-3.9A)
STU  A 401 (-4.7A)
STU  A 401 ( 4.5A)
STU  A 401 (-4.7A)
0.71A 3cs9D-1nxkA:
18.1
3cs9D-1nxkA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
9 / 12 LEU A  70
GLY A  71
GLY A  76
VAL A  78
ALA A  91
LYS A  93
MET A 138
ASN A 191
ASP A 207
STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
None
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 ( 4.5A)
STU  A 401 (-3.2A)
STU  A 401 (-4.5A)
STU  A 401 (-3.6A)
0.62A 3eygA-1nxkA:
21.6
3eygA-1nxkA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 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_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE JAK2)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
8 / 12 LEU A  70
GLY A  71
GLY A  76
VAL A  78
ALA A  91
LYS A  93
MET A 138
ASP A 207
STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
None
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 ( 4.5A)
STU  A 401 (-3.2A)
STU  A 401 (-3.6A)
0.50A 3fupA-1nxkA:
21.8
3fupA-1nxkA:
24.23
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.
3FUP_B_MI1B1_1
(TYROSINE-PROTEIN
KINASE JAK2)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
9 / 12 LEU A  70
GLY A  71
VAL A  78
ALA A  91
LYS A  93
VAL A 118
MET A 138
LEU A 141
ASP A 207
STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 ( 4.5A)
None
STU  A 401 (-3.2A)
STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
0.58A 3fupB-1nxkA:
21.6
3fupB-1nxkA:
24.23
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.
3HCP_B_CHDB4_0
(FERROCHELATASE,
MITOCHONDRIAL)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
3 / 3 GLY A 282
PRO A 262
LEU A 306
None
0.61A 3hcpB-1nxkA:
undetectable
3hcpB-1nxkA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K5V_A_STIA2_2
(TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 6 LEU A  70
LYS A  93
VAL A 118
ILE A 136
STU  A 401 (-3.9A)
STU  A 401 ( 4.5A)
None
None
0.48A 3k5vA-1nxkA:
19.2
3k5vA-1nxkA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K5V_B_STIB2_2
(TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 6 LEU A  70
LYS A  93
VAL A 118
ILE A 136
STU  A 401 (-3.9A)
STU  A 401 ( 4.5A)
None
None
0.56A 3k5vB-1nxkA:
18.5
3k5vB-1nxkA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXK_A_MI1A1125_1
(TYROSINE-PROTEIN
KINASE JAK3)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
8 / 12 LEU A  70
GLY A  71
VAL A  78
ALA A  91
LYS A  93
VAL A 118
MET A 138
ASP A 207
STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 ( 4.5A)
None
STU  A 401 (-3.2A)
STU  A 401 (-3.6A)
0.51A 3lxkA-1nxkA:
21.8
3lxkA-1nxkA:
25.71
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.
3MS9_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 6 LYS A  93
VAL A 118
ILE A 136
ARG A 185
STU  A 401 ( 4.5A)
None
None
None
0.96A 3ms9A-1nxkA:
19.3
3ms9A-1nxkA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_B_STIB1_2
(TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 7 LYS A  93
VAL A 118
ILE A 136
ARG A 185
STU  A 401 ( 4.5A)
None
None
None
1.01A 3ms9B-1nxkA:
19.0
3ms9B-1nxkA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 6 LYS A  93
VAL A 118
ILE A 136
ARG A 185
STU  A 401 ( 4.5A)
None
None
None
0.97A 3mssA-1nxkA:
19.4
3mssA-1nxkA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_C_STIC1_2
(TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 6 LYS A  93
VAL A 118
ILE A 136
ARG A 185
STU  A 401 ( 4.5A)
None
None
None
0.97A 3mssC-1nxkA:
19.3
3mssC-1nxkA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_D_STID1_2
(TYROSINE-PROTEIN
KINASE ABL1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 6 VAL A  78
LYS A  93
VAL A 118
ILE A 136
STU  A 401 (-4.7A)
STU  A 401 ( 4.5A)
None
None
0.50A 3mssD-1nxkA:
19.3
3mssD-1nxkA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PYY_A_STIA3_2
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 6 LYS A  93
VAL A 118
ILE A 136
ARG A 185
STU  A 401 ( 4.5A)
None
None
None
1.08A 3pyyA-1nxkA:
19.4
3pyyA-1nxkA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 8 VAL A 251
ILE A 252
ILE A 166
PHE A 147
None
0.86A 3uqbA-1nxkA:
undetectable
3uqbA-1nxkA:
19.55
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 7 VAL A  78
ALA A  91
LEU A  95
MET A 138
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
None
STU  A 401 (-3.2A)
0.51A 4l9iA-1nxkA:
7.1
4l9iA-1nxkA:
22.69
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 7 VAL A  78
ALA A  91
MET A 138
LEU A 193
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 (-3.2A)
STU  A 401 (-4.7A)
0.77A 4l9iA-1nxkA:
7.1
4l9iA-1nxkA:
22.69
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.
4O0W_A_ADNA501_1
(AURORA KINASE A)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 6 LEU A  70
GLY A  71
VAL A  78
ALA A  91
STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
0.22A 4o0wA-1nxkA:
22.8
4o0wA-1nxkA:
27.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8F_B_BRLB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 12 SER A 169
VAL A 331
PHE A 158
LEU A 203
TYR A 194
None
0.98A 4o8fB-1nxkA:
0.0
4o8fB-1nxkA:
20.55
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.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 8 GLY A  73
VAL A  78
ALA A  91
ASN A 191
ASP A 207
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 (-4.5A)
STU  A 401 (-3.6A)
0.44A 4ogrA-1nxkA:
22.2
4ogrA-1nxkA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 7 GLY A  71
ALA A  91
ASN A 191
LEU A 193
ASP A 207
STU  A 401 (-3.6A)
STU  A 401 (-3.4A)
STU  A 401 (-4.5A)
STU  A 401 (-4.7A)
STU  A 401 (-3.6A)
0.97A 4ogrE-1nxkA:
21.4
4ogrE-1nxkA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
6 / 9 GLY A  73
VAL A  78
ALA A  91
ASN A 191
LEU A 193
ASP A 207
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 (-4.5A)
STU  A 401 (-4.7A)
STU  A 401 (-3.6A)
0.83A 4ogrI-1nxkA:
22.3
4ogrI-1nxkA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6X_G_HCYG900_1
(GLUCOCORTICOID
RECEPTOR)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 12 TRP A 324
LEU A 249
THR A 338
ILE A 150
PHE A 158
None
1.43A 4p6xG-1nxkA:
undetectable
4p6xG-1nxkA:
20.63
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 12 GLY A  73
ASP A 186
ILE A 136
HIS A 108
ASN A 191
STU  A 401 (-3.6A)
None
None
None
STU  A 401 (-4.5A)
1.32A 4pooA-1nxkA:
undetectable
4pooA-1nxkA:
20.10
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.
4QMZ_A_B49A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
6 / 12 GLY A  71
VAL A  78
ALA A  91
MET A 138
LEU A 141
LEU A 193
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 (-3.2A)
STU  A 401 (-3.9A)
STU  A 401 (-4.7A)
0.90A 4qmzA-1nxkA:
24.0
4qmzA-1nxkA:
27.43
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.
4QRC_A_0LIA802_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 8 LEU A  70
VAL A  78
LYS A  93
LEU A 193
STU  A 401 (-3.9A)
STU  A 401 (-4.7A)
STU  A 401 ( 4.5A)
STU  A 401 (-4.7A)
0.61A 4qrcA-1nxkA:
19.7
4qrcA-1nxkA:
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.
4WBO_C_ANWC601_0
(RHODOPSIN KINASE)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 6 LEU A  70
ALA A  91
MET A 138
LEU A 193
STU  A 401 (-3.9A)
STU  A 401 (-3.4A)
STU  A 401 (-3.2A)
STU  A 401 (-4.7A)
0.69A 4wboC-1nxkA:
20.1
4wboC-1nxkA:
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.
5J5X_B_AZ1B2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAL-DAR-DAR-
DAR-DAR)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 7 GLY A  71
VAL A  78
LYS A  93
ASP A 207
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 ( 4.5A)
STU  A 401 (-3.6A)
0.42A 5j5xA-1nxkA:
21.9
5j5xA-1nxkA:
28.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
6 / 10 LEU A  70
VAL A  78
ALA A  91
MET A 138
LEU A 193
THR A 206
STU  A 401 (-3.9A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
STU  A 401 (-3.2A)
STU  A 401 (-4.7A)
STU  A 401 (-3.2A)
0.80A 5n3hA-1nxkA:
22.0
5n3hA-1nxkA:
27.54
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.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
6 / 10 LEU A  70
VAL A  78
ALA A  91
VAL A 118
MET A 138
THR A 206
STU  A 401 (-3.9A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
None
STU  A 401 (-3.2A)
STU  A 401 (-3.2A)
0.66A 5n3hA-1nxkA:
22.0
5n3hA-1nxkA:
27.54
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.
5NWW_A_ACAA18_1
(SCRFP-TAG,GP41)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 12 GLY A  71
LYS A  77
LEU A 192
GLU A 145
LEU A 193
STU  A 401 (-3.6A)
None
None
None
STU  A 401 (-4.7A)
1.07A 5nwwA-1nxkA:
undetectable
5nwwA-1nxkA:
6.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VC3_A_DB8A601_2
(WEE1-LIKE PROTEIN
KINASE)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
4 / 4 VAL A  78
LYS A  93
VAL A 118
ASN A 191
STU  A 401 (-4.7A)
STU  A 401 ( 4.5A)
None
STU  A 401 (-4.5A)
0.95A 5vc3A-1nxkA:
21.0
5vc3A-1nxkA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo
sapiens)
5 / 9 LEU A  70
ALA A  91
VAL A 118
MET A 138
THR A 206
STU  A 401 (-3.9A)
STU  A 401 (-3.4A)
None
STU  A 401 (-3.2A)
STU  A 401 (-3.2A)
1.07A 5w5vA-1nxkA:
2.8
5w5vA-1nxkA:
21.12