SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'H1N'


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.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 9 VAL A 142
ALA A 155
GLY A 236
PRO A 237
LEU A 282
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-3.6A)
H1N  A 501 ( 4.5A)
H1N  A 501 (-4.8A)
0.39A 1xbbA-6ccfA:
19.6
1xbbA-6ccfA:
14.34
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.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 9 VAL A 142
LYS A 157
LEU A 214
LEU A 228
LEU A 232
H1N  A 501 (-4.4A)
H1N  A 501 (-2.8A)
None
None
H1N  A 501 (-4.3A)
0.63A 1xkkA-6ccfA:
22.8
1xkkA-6ccfA:
14.90
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.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
8 / 12 VAL A 142
LYS A 157
VAL A 212
PHE A 230
ASN A 280
LEU A 282
ALA A 292
ASP A 293
H1N  A 501 (-4.4A)
H1N  A 501 (-2.8A)
H1N  A 501 (-4.9A)
H1N  A 501 (-3.7A)
H1N  A 501 (-4.5A)
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
H1N  A 501 (-3.5A)
0.65A 2eufB-6ccfA:
26.3
2eufB-6ccfA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
8 / 12 GLY A 135
VAL A 142
ALA A 155
LYS A 157
LEU A 228
GLY A 236
LEU A 282
ASP A 293
H1N  A 501 ( 3.8A)
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-2.8A)
None
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
H1N  A 501 (-3.5A)
0.72A 2ityA-6ccfA:
23.2
2ityA-6ccfA:
15.88
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.
2WGJ_A_VGHA2346_1
(HEPATOCYTE GROWTH
FACTOR RECEPTOR)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 12 GLY A 135
VAL A 142
ALA A 155
GLY A 236
ALA A 292
ASP A 293
H1N  A 501 ( 3.8A)
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-3.6A)
H1N  A 501 ( 3.9A)
H1N  A 501 (-3.5A)
0.47A 2wgjA-6ccfA:
23.3
2wgjA-6ccfA:
13.45
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.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 12 ILE A 134
VAL A 142
ALA A 155
PHE A 230
LEU A 232
GLY A 236
LEU A 282
H1N  A 501 (-4.3A)
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-3.7A)
H1N  A 501 (-4.3A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
0.42A 2y7jA-6ccfA:
31.3
2y7jA-6ccfA:
14.29
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.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 10 ILE A 134
VAL A 142
ALA A 155
PHE A 230
LEU A 232
ASP A 293
H1N  A 501 (-4.3A)
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-3.7A)
H1N  A 501 (-4.3A)
H1N  A 501 (-3.5A)
0.60A 2y7jB-6ccfA:
31.2
2y7jB-6ccfA:
14.29
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.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 10 ILE A 134
VAL A 142
ALA A 155
PHE A 230
LEU A 232
GLY A 236
LEU A 282
H1N  A 501 (-4.3A)
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-3.7A)
H1N  A 501 (-4.3A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
0.43A 2y7jB-6ccfA:
31.2
2y7jB-6ccfA:
14.29
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.
2Y7J_C_B49C1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 10 ILE A 134
VAL A 142
ALA A 155
PHE A 230
LEU A 232
GLY A 236
LEU A 282
H1N  A 501 (-4.3A)
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-3.7A)
H1N  A 501 (-4.3A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
0.45A 2y7jC-6ccfA:
27.6
2y7jC-6ccfA:
14.29
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.
2Y7J_D_B49D1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 10 ILE A 134
VAL A 142
ALA A 155
PHE A 230
LEU A 232
GLY A 236
LEU A 282
H1N  A 501 (-4.3A)
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-3.7A)
H1N  A 501 (-4.3A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
0.43A 2y7jD-6ccfA:
31.0
2y7jD-6ccfA:
14.29
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 10 ALA A 155
LYS A 157
VAL A 212
LEU A 232
GLY A 236
LEU A 282
H1N  A 501 (-3.4A)
H1N  A 501 (-2.8A)
H1N  A 501 (-4.9A)
H1N  A 501 (-4.3A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
0.55A 3aoxA-6ccfA:
22.0
3aoxA-6ccfA:
13.95
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.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 12 VAL A 142
ALA A 155
LEU A 214
LEU A 232
GLY A 236
LEU A 282
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
None
H1N  A 501 (-4.3A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
0.42A 3bbtB-6ccfA:
23.2
3bbtB-6ccfA:
13.98
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.
3CS9_A_NILA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 12 ALA A 155
GLY A 236
HIS A 273
LEU A 282
ALA A 292
H1N  A 501 (-3.4A)
H1N  A 501 (-3.6A)
None
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
0.37A 3cs9A-6ccfA:
22.2
3cs9A-6ccfA:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 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)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
8 / 12 GLY A 135
GLY A 137
VAL A 142
ALA A 155
LYS A 157
VAL A 212
LEU A 233
LEU A 282
H1N  A 501 ( 3.8A)
None
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-2.8A)
H1N  A 501 (-4.9A)
H1N  A 501 (-4.6A)
H1N  A 501 (-4.8A)
0.55A 3fupB-6ccfA:
24.4
3fupB-6ccfA:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
4 / 6 VAL A 211
LEU A 232
ILE A 271
ILE A 291
None
H1N  A 501 (-4.3A)
None
None
0.57A 3gcsA-6ccfA:
21.1
3gcsA-6ccfA:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_A_0LIA1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 12 ALA A 155
VAL A 212
HIS A 273
LEU A 282
ALA A 292
H1N  A 501 (-3.4A)
H1N  A 501 (-4.9A)
None
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
0.46A 3ik3A-6ccfA:
22.2
3ik3A-6ccfA:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_B_0LIB2_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 12 ALA A 155
VAL A 212
HIS A 273
LEU A 282
ALA A 292
H1N  A 501 (-3.4A)
H1N  A 501 (-4.9A)
None
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
0.50A 3ik3B-6ccfA:
21.9
3ik3B-6ccfA:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
4 / 8 ALA A 155
LYS A 157
LEU A 228
LEU A 232
H1N  A 501 (-3.4A)
H1N  A 501 (-2.8A)
None
H1N  A 501 (-4.3A)
0.42A 3lfaA-6ccfA:
21.5
3lfaA-6ccfA:
11.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 11 ILE A 134
ALA A 155
LYS A 157
VAL A 212
PHE A 230
GLY A 236
LEU A 282
H1N  A 501 (-4.3A)
H1N  A 501 (-3.4A)
H1N  A 501 (-2.8A)
H1N  A 501 (-4.9A)
H1N  A 501 (-3.7A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
0.58A 3miyA-6ccfA:
23.4
3miyA-6ccfA:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 9 ILE A 134
ALA A 155
LYS A 157
PHE A 230
GLY A 236
LEU A 282
H1N  A 501 (-4.3A)
H1N  A 501 (-3.4A)
H1N  A 501 (-2.8A)
H1N  A 501 (-3.7A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
0.57A 3miyB-6ccfA:
23.2
3miyB-6ccfA:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 12 VAL A 142
ALA A 155
VAL A 212
GLY A 236
LEU A 282
ALA A 292
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-4.9A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
0.50A 3oezA-6ccfA:
7.2
3oezA-6ccfA:
14.34
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 12 VAL A 142
ALA A 155
PHE A 230
LEU A 266
HIS A 273
ALA A 292
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-3.7A)
None
None
H1N  A 501 ( 3.9A)
0.56A 3rgfA-6ccfA:
7.7
3rgfA-6ccfA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TI1_A_B49A299_1
(CYCLIN-DEPENDENT
KINASE 2)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 9 ILE A 134
ALA A 155
VAL A 212
PHE A 230
LEU A 282
H1N  A 501 (-4.3A)
H1N  A 501 (-3.4A)
H1N  A 501 (-4.9A)
H1N  A 501 (-3.7A)
H1N  A 501 (-4.8A)
0.59A 3ti1A-6ccfA:
24.2
3ti1A-6ccfA:
13.00
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.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 12 VAL A 142
ALA A 155
LYS A 157
LEU A 228
LEU A 232
GLY A 236
LEU A 282
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-2.8A)
None
H1N  A 501 (-4.3A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
0.57A 3ug2A-6ccfA:
23.4
3ug2A-6ccfA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 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_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
4 / 5 LYS A 157
VAL A 212
LEU A 282
ASP A 293
H1N  A 501 (-2.8A)
H1N  A 501 (-4.9A)
H1N  A 501 (-4.8A)
H1N  A 501 (-3.5A)
1.10A 3wzdA-6ccfA:
6.3
3wzdA-6ccfA:
17.08
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.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 8 VAL A 211
VAL A 212
LEU A 282
ILE A 291
ASP A 293
None
H1N  A 501 (-4.9A)
H1N  A 501 (-4.8A)
None
H1N  A 501 (-3.5A)
0.71A 3wzeA-6ccfA:
22.3
3wzeA-6ccfA:
17.08
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 12 ALA A 155
LEU A 232
GLY A 236
LEU A 282
ASP A 293
H1N  A 501 (-3.4A)
H1N  A 501 (-4.3A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
H1N  A 501 (-3.5A)
0.43A 3zbfA-6ccfA:
12.9
3zbfA-6ccfA:
12.30
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.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 9 VAL A 142
ALA A 155
GLY A 236
LEU A 282
ALA A 292
ASP A 293
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
H1N  A 501 (-3.5A)
0.55A 4anqA-6ccfA:
22.3
4anqA-6ccfA:
13.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 9 VAL A 142
ALA A 155
GLY A 236
LEU A 282
ALA A 292
ASP A 293
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
H1N  A 501 (-3.5A)
0.56A 4ansA-6ccfA:
22.3
4ansA-6ccfA:
13.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 12 VAL A 142
ALA A 155
ASP A 275
LYS A 277
ASN A 280
LEU A 282
ASP A 293
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
None
None
H1N  A 501 (-4.5A)
H1N  A 501 (-4.8A)
H1N  A 501 (-3.5A)
0.63A 4i41A-6ccfA:
28.8
4i41A-6ccfA:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KS8_A_B49A701_1
(SERINE/THREONINE-PRO
TEIN KINASE PAK 6)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 10 ILE A 134
ALA A 155
VAL A 212
LEU A 233
GLY A 236
LEU A 282
H1N  A 501 (-4.3A)
H1N  A 501 (-3.4A)
H1N  A 501 (-4.9A)
H1N  A 501 (-4.6A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
0.34A 4ks8A-6ccfA:
28.4
4ks8A-6ccfA:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 12 VAL A 142
ALA A 155
VAL A 212
GLY A 236
LEU A 282
ALA A 292
ASP A 293
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-4.9A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
H1N  A 501 (-3.5A)
0.58A 4mxyB-6ccfA:
23.8
4mxyB-6ccfA:
14.34
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.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 12 VAL A 142
ALA A 155
VAL A 212
GLY A 236
LEU A 282
ALA A 292
ASP A 293
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-4.9A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
H1N  A 501 (-3.5A)
0.58A 4mxzB-6ccfA:
23.8
4mxzB-6ccfA:
14.34
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.
4OTW_A_DB8A1101_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 12 VAL A 142
LYS A 157
VAL A 212
GLY A 236
LEU A 282
ALA A 292
ASP A 293
H1N  A 501 (-4.4A)
H1N  A 501 (-2.8A)
H1N  A 501 (-4.9A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
H1N  A 501 (-3.5A)
0.77A 4otwA-6ccfA:
23.1
4otwA-6ccfA:
18.22
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.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 11 ILE A 134
ALA A 155
LYS A 157
LEU A 233
LEU A 282
ASP A 293
H1N  A 501 (-4.3A)
H1N  A 501 (-3.4A)
H1N  A 501 (-2.8A)
H1N  A 501 (-4.6A)
H1N  A 501 (-4.8A)
H1N  A 501 (-3.5A)
0.68A 4qmsA-6ccfA:
28.9
4qmsA-6ccfA:
14.05
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.
4QMZ_A_B49A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 12 ILE A 134
GLY A 135
VAL A 142
ALA A 155
LEU A 233
LEU A 282
H1N  A 501 (-4.3A)
H1N  A 501 ( 3.8A)
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-4.6A)
H1N  A 501 (-4.8A)
0.35A 4qmzA-6ccfA:
28.6
4qmzA-6ccfA:
14.05
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.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 10 ILE A 134
ALA A 155
LYS A 157
LEU A 232
LEU A 282
H1N  A 501 (-4.3A)
H1N  A 501 (-3.4A)
H1N  A 501 (-2.8A)
H1N  A 501 (-4.3A)
H1N  A 501 (-4.8A)
0.60A 4rz7A-6ccfA:
12.0
4rz7A-6ccfA:
7.23
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.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
8 / 12 VAL A 142
ALA A 155
LYS A 157
GLY A 236
ASN A 280
LEU A 282
ALA A 292
ASP A 293
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-2.8A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.5A)
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
H1N  A 501 (-3.5A)
0.52A 4twpA-6ccfA:
24.7
4twpA-6ccfA:
13.82
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
8 / 11 GLY A 137
VAL A 142
ALA A 155
GLY A 236
ASN A 280
LEU A 282
ALA A 292
ASP A 293
None
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.5A)
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
H1N  A 501 (-3.5A)
0.51A 4u5jA-6ccfA:
24.8
4u5jA-6ccfA:
14.34
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.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 12 ALA A 155
LEU A 266
HIS A 273
LEU A 282
ALA A 292
H1N  A 501 (-3.4A)
None
None
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
0.37A 4uxqA-6ccfA:
22.1
4uxqA-6ccfA:
16.90
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.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 12 ALA A 155
LYS A 157
LEU A 228
LEU A 232
GLY A 236
LEU A 282
H1N  A 501 (-3.4A)
H1N  A 501 (-2.8A)
None
H1N  A 501 (-4.3A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
0.34A 4wkqA-6ccfA:
24.0
4wkqA-6ccfA:
16.07
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.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 12 VAL A 142
ALA A 155
LYS A 157
VAL A 212
GLY A 236
LEU A 282
ALA A 292
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-2.8A)
H1N  A 501 (-4.9A)
H1N  A 501 (-3.6A)
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
0.64A 4xeyB-6ccfA:
24.1
4xeyB-6ccfA:
10.34
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.
5IZJ_G_AZ1G2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 7 GLY A 135
GLY A 137
VAL A 142
LYS A 157
LEU A 159
H1N  A 501 ( 3.8A)
None
H1N  A 501 (-4.4A)
H1N  A 501 (-2.8A)
None
0.44A 5izjA-6ccfA:
28.2
5izjA-6ccfA:
13.76
Potential target for repurposing, i.e. matched protein structure has less than 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)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 7 GLY A 135
GLY A 137
VAL A 142
LYS A 157
ASP A 293
H1N  A 501 ( 3.8A)
None
H1N  A 501 (-4.4A)
H1N  A 501 (-2.8A)
H1N  A 501 (-3.5A)
0.78A 5j5xA-6ccfA:
28.4
5j5xA-6ccfA:
13.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 12 GLY A 135
TYR A 139
VAL A 142
ALA A 155
VAL A 212
LEU A 282
ALA A 292
H1N  A 501 ( 3.8A)
None
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-4.9A)
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
0.70A 5l2iA-6ccfA:
8.3
5l2iA-6ccfA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 12 GLY A 135
VAL A 142
ALA A 155
VAL A 212
PHE A 230
LEU A 282
ALA A 292
H1N  A 501 ( 3.8A)
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-4.9A)
H1N  A 501 (-3.7A)
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
0.63A 5l2iA-6ccfA:
8.3
5l2iA-6ccfA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 12 GLY A 135
VAL A 142
ALA A 155
VAL A 212
PHE A 230
LEU A 282
ALA A 292
H1N  A 501 ( 3.8A)
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-4.9A)
H1N  A 501 (-3.7A)
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
0.75A 5l2tA-6ccfA:
8.3
5l2tA-6ccfA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
7 / 12 ILE A 134
GLY A 135
VAL A 142
ALA A 155
VAL A 212
PHE A 230
LEU A 282
H1N  A 501 (-4.3A)
H1N  A 501 ( 3.8A)
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-4.9A)
H1N  A 501 (-3.7A)
H1N  A 501 (-4.8A)
1.05A 5l2tA-6ccfA:
8.3
5l2tA-6ccfA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 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)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 12 ALA A 155
VAL A 212
HIS A 273
LEU A 282
ALA A 292
H1N  A 501 (-3.4A)
H1N  A 501 (-4.9A)
None
H1N  A 501 (-4.8A)
H1N  A 501 ( 3.9A)
0.47A 5mo4A-6ccfA:
16.1
5mo4A-6ccfA:
11.56
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.
5VCY_A_DB8A401_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
4 / 4 VAL A 212
LEU A 232
ASN A 280
ASP A 293
H1N  A 501 (-4.9A)
H1N  A 501 (-4.3A)
H1N  A 501 (-4.5A)
H1N  A 501 (-3.5A)
0.92A 5vcyA-6ccfA:
24.4
5vcyA-6ccfA:
15.19
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
5 / 12 GLY A 135
VAL A 142
ALA A 155
PHE A 230
ALA A 292
H1N  A 501 ( 3.8A)
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-3.7A)
H1N  A 501 ( 3.9A)
0.30A 5xv7A-6ccfA:
25.1
5xv7A-6ccfA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y9M_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
4 / 8 VAL A 142
LYS A 157
PHE A 230
ASP A 293
H1N  A 501 (-4.4A)
H1N  A 501 (-2.8A)
H1N  A 501 (-3.7A)
H1N  A 501 (-3.5A)
0.51A 5y9mX-6ccfA:
24.3
5y9mX-6ccfA:
23.53
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.
5YF9_B_NIOB401_1
(CASEIN KINASE II
SUBUNIT ALPHA')
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
4 / 7 VAL A 142
LYS A 157
PHE A 230
ASP A 293
H1N  A 501 (-4.4A)
H1N  A 501 (-2.8A)
H1N  A 501 (-3.7A)
H1N  A 501 (-3.5A)
0.70A 5yf9B-6ccfA:
24.2
5yf9B-6ccfA:
23.53
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.
5YU9_A_1E8A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo
sapiens)
6 / 12 GLY A 135
VAL A 142
ALA A 155
LYS A 157
LEU A 228
LEU A 282
H1N  A 501 ( 3.8A)
H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
H1N  A 501 (-2.8A)
None
H1N  A 501 (-4.8A)
0.66A 5yu9A-6ccfA:
22.3
5yu9A-6ccfA:
23.96