SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2x4f'

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.
1A52_A_ESTA1_1
(ESTROGEN RECEPTOR)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 10 ALA A 293
MET A 286
ILE A 350
HIS A 358
LEU A 361
None
1.18A 1a52A-2x4fA:
undetectable
1a52A-2x4fA:
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.
1A52_B_ESTB2_1
(ESTROGEN RECEPTOR)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 10 ALA A 293
MET A 286
ILE A 350
HIS A 358
LEU A 361
None
1.16A 1a52B-2x4fA:
undetectable
1a52B-2x4fA:
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.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
6 / 12 LEU A 112
VAL A 120
ALA A 133
GLU A 151
MET A 155
GLY A 186
16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
None
16X  A1374 (-4.0A)
0.80A 1iepB-2x4fA:
22.1
1iepB-2x4fA:
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.
1MUO_A_ADNA1_1
(AURORA-RELATED
KINASE 1)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
6 / 9 LEU A 112
GLY A 113
VAL A 120
ALA A 133
TYR A 182
LEU A 234
16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.1A)
16X  A1374 ( 4.8A)
0.92A 1muoA-2x4fA:
11.2
1muoA-2x4fA:
28.22
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.
1NSI_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 6 ILE A 205
TRP A 360
PHE A 337
GLU A 333
None
1.41A 1nsiA-2x4fA:
undetectable
1nsiB-2x4fA:
undetectable
1nsiA-2x4fA:
23.11
1nsiB-2x4fA:
23.11
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.
1NSI_B_H4BB601_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 6 TRP A 360
PHE A 337
GLU A 333
ILE A 205
None
1.41A 1nsiA-2x4fA:
undetectable
1nsiB-2x4fA:
undetectable
1nsiA-2x4fA:
23.11
1nsiB-2x4fA:
23.11
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.
1NSI_C_H4BC602_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 6 ILE A 205
TRP A 360
PHE A 337
GLU A 333
None
1.47A 1nsiC-2x4fA:
undetectable
1nsiD-2x4fA:
undetectable
1nsiC-2x4fA:
23.11
1nsiD-2x4fA:
23.11
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.
1Q6I_B_FK5B401_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 10 ASP A 227
LEU A 270
VAL A 291
ILE A 292
ILE A 245
EDO  A1377 (-4.4A)
None
None
None
None
1.45A 1q6iB-2x4fA:
undetectable
1q6iB-2x4fA:
18.32
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.
1QHS_A_CLMA999_0
(PROTEIN
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE))
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 12 ILE A 243
ILE A 233
PHE A 189
VAL A 289
LEU A 228
None
0.95A 1qhsA-2x4fA:
undetectable
1qhsA-2x4fA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 9 LEU A 112
VAL A 120
LYS A 135
LEU A 166
LEU A 178
16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 4.3A)
None
None
0.47A 1xkkA-2x4fA:
22.8
1xkkA-2x4fA:
25.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YI4_A_ADNA306_1
(PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 10 LEU A 112
ALA A 133
ILE A 164
LEU A 234
ILE A 246
16X  A1374 (-4.1A)
16X  A1374 ( 3.8A)
None
16X  A1374 ( 4.8A)
16X  A1374 (-4.1A)
0.98A 1yi4A-2x4fA:
26.5
1yi4A-2x4fA:
24.27
Potential target for repurposing, i.e. matched protein structure has less than 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)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
7 / 12 LEU A 112
GLY A 113
VAL A 120
ALA A 133
MET A 180
TYR A 182
ASN A 232
16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
None
0.66A 2fumB-2x4fA:
27.4
2fumB-2x4fA:
26.34
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.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
7 / 12 LEU A 112
GLY A 113
VAL A 120
ALA A 133
MET A 180
TYR A 182
VAL A 183
16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
0.41A 2fumB-2x4fA:
27.4
2fumB-2x4fA:
26.34
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.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
7 / 12 LEU A 112
VAL A 120
ALA A 133
MET A 180
TYR A 182
ASN A 232
ASP A 247
16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
None
None
0.83A 2fumB-2x4fA:
27.4
2fumB-2x4fA:
26.34
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.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
7 / 12 LEU A 112
VAL A 120
ALA A 133
MET A 180
TYR A 182
VAL A 183
ASP A 247
16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
None
0.77A 2fumB-2x4fA:
27.4
2fumB-2x4fA:
26.34
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.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
7 / 12 LEU A 112
GLY A 113
VAL A 120
ALA A 133
MET A 180
TYR A 182
ASN A 232
16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
None
0.69A 2fumC-2x4fA:
25.4
2fumC-2x4fA:
26.34
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.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
7 / 12 LEU A 112
GLY A 113
VAL A 120
ALA A 133
MET A 180
TYR A 182
VAL A 183
16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
0.55A 2fumC-2x4fA:
25.4
2fumC-2x4fA:
26.34
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.
2NSI_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 7 ILE A 205
TRP A 360
PHE A 337
GLU A 333
None
1.42A 2nsiA-2x4fA:
undetectable
2nsiB-2x4fA:
undetectable
2nsiA-2x4fA:
23.11
2nsiB-2x4fA:
23.11
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.
2NSI_C_H4BC602_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 7 ILE A 205
TRP A 360
PHE A 337
GLU A 333
None
1.44A 2nsiC-2x4fA:
undetectable
2nsiD-2x4fA:
undetectable
2nsiC-2x4fA:
23.11
2nsiD-2x4fA:
23.11
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.
2Q72_A_IXXA801_1
(TRANSPORTER)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 11 VAL A 154
ILE A 245
ALA A 251
LEU A 228
ASP A 285
None
1.19A 2q72A-2x4fA:
undetectable
2q72A-2x4fA:
21.86
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.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 12 ALA A 133
GLU A 151
VAL A 154
MET A 155
LEU A 163
16X  A1374 ( 3.8A)
None
None
None
None
0.54A 3cs9B-2x4fA:
22.8
3cs9B-2x4fA:
24.03
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.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 12 ALA A 133
VAL A 154
MET A 155
LEU A 163
HIS A 225
16X  A1374 ( 3.8A)
None
None
None
None
0.66A 3cs9B-2x4fA:
22.8
3cs9B-2x4fA:
24.03
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.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
6 / 12 ALA A 133
GLU A 151
VAL A 154
MET A 155
LEU A 163
HIS A 225
16X  A1374 ( 3.8A)
None
None
None
None
None
0.82A 3cs9C-2x4fA:
22.1
3cs9C-2x4fA:
24.03
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.
3DCJ_B_THHB401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 8 SER A 301
ILE A 315
LEU A 342
VAL A 291
None
0.83A 3dcjB-2x4fA:
undetectable
3dcjB-2x4fA:
20.33
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.
3E7G_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 7 ILE A 205
TRP A 360
PHE A 337
GLU A 333
None
1.40A 3e7gA-2x4fA:
undetectable
3e7gB-2x4fA:
undetectable
3e7gA-2x4fA:
23.29
3e7gB-2x4fA:
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.
3E7G_B_H4BB1902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 7 TRP A 360
PHE A 337
GLU A 333
ILE A 205
None
1.39A 3e7gA-2x4fA:
undetectable
3e7gB-2x4fA:
undetectable
3e7gA-2x4fA:
23.29
3e7gB-2x4fA:
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.
3E7G_C_H4BC2902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 7 ILE A 205
TRP A 360
PHE A 337
GLU A 333
None
1.41A 3e7gC-2x4fA:
undetectable
3e7gD-2x4fA:
undetectable
3e7gC-2x4fA:
23.29
3e7gD-2x4fA:
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.
3E7G_D_H4BD3902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 8 TRP A 360
PHE A 337
GLU A 333
ILE A 205
None
1.41A 3e7gC-2x4fA:
undetectable
3e7gD-2x4fA:
undetectable
3e7gC-2x4fA:
23.29
3e7gD-2x4fA:
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.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
7 / 12 LEU A 112
GLY A 113
VAL A 120
ALA A 133
ILE A 164
TYR A 182
VAL A 183
16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
0.50A 3lxnA-2x4fA:
17.3
3lxnA-2x4fA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 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_B_STIB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
7 / 12 VAL A 120
ALA A 133
LYS A 135
GLU A 151
VAL A 154
MET A 155
TYR A 182
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
None
None
None
16X  A1374 (-4.1A)
0.69A 3oezB-2x4fA:
23.5
3oezB-2x4fA:
24.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 8 VAL A 120
LYS A 135
ILE A 164
ILE A 246
16X  A1374 (-4.8A)
16X  A1374 ( 4.3A)
None
16X  A1374 (-4.1A)
0.78A 3warA-2x4fA:
25.4
3warA-2x4fA:
26.88
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.
4CKI_A_ADNA2022_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
6 / 11 LEU A 112
GLY A 113
VAL A 120
ALA A 133
TYR A 182
GLY A 186
16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
0.82A 4ckiA-2x4fA:
24.9
4ckiA-2x4fA:
25.19
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.
4CX7_D_H4BD600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 7 TRP A 360
PHE A 337
GLU A 333
ILE A 205
None
1.46A 4cx7C-2x4fA:
undetectable
4cx7D-2x4fA:
undetectable
4cx7C-2x4fA:
23.11
4cx7D-2x4fA:
23.11
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.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
8 / 12 VAL A 120
ALA A 133
ILE A 164
ASP A 227
LYS A 229
ASN A 232
ILE A 246
ASP A 247
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
EDO  A1377 (-4.4A)
EDO  A1377 ( 4.5A)
None
16X  A1374 (-4.1A)
None
0.92A 4i41A-2x4fA:
26.4
4i41A-2x4fA:
24.61
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.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
6 / 11 VAL A 120
ALA A 133
GLU A 231
LEU A 234
ILE A 246
ASP A 247
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
16X  A1374 ( 4.8A)
16X  A1374 (-4.1A)
None
0.90A 4iaaA-2x4fA:
26.1
4iaaA-2x4fA:
24.80
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.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
6 / 11 VAL A 120
ALA A 133
LYS A 135
LEU A 234
ILE A 246
ASP A 247
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
16X  A1374 ( 4.8A)
16X  A1374 (-4.1A)
None
0.91A 4iaaA-2x4fA:
26.1
4iaaA-2x4fA:
24.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
7 / 12 GLY A 113
VAL A 120
ALA A 133
LYS A 135
LEU A 166
LEU A 178
GLY A 186
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
None
None
16X  A1374 (-4.0A)
0.85A 4ifgA-2x4fA:
25.3
4ifgA-2x4fA:
30.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
7 / 12 VAL A 120
ALA A 133
LYS A 135
LEU A 166
LEU A 178
GLY A 186
ILE A 246
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
None
None
16X  A1374 (-4.0A)
16X  A1374 (-4.1A)
0.71A 4ifgA-2x4fA:
25.3
4ifgA-2x4fA:
30.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NOS_B_H4BB1011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 7 TRP A 360
PHE A 337
GLU A 333
ILE A 205
None
1.40A 4nosA-2x4fA:
undetectable
4nosB-2x4fA:
undetectable
4nosA-2x4fA:
23.08
4nosB-2x4fA:
23.08
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.
4NOS_C_H4BC2011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 7 ILE A 205
TRP A 360
PHE A 337
GLU A 333
None
1.40A 4nosC-2x4fA:
undetectable
4nosD-2x4fA:
undetectable
4nosC-2x4fA:
23.08
4nosD-2x4fA:
23.08
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.
4NOS_D_H4BD3011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 6 TRP A 360
PHE A 337
GLU A 333
ILE A 205
None
1.42A 4nosC-2x4fA:
undetectable
4nosD-2x4fA:
undetectable
4nosC-2x4fA:
23.08
4nosD-2x4fA:
23.08
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.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 10 ALA A 133
LYS A 135
ILE A 164
VAL A 183
LEU A 234
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
None
16X  A1374 (-4.0A)
16X  A1374 ( 4.8A)
0.82A 4rz7A-2x4fA:
20.7
4rz7A-2x4fA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
6 / 10 LEU A 112
VAL A 120
MET A 155
ILE A 164
TYR A 182
ILE A 245
16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
None
None
16X  A1374 (-4.1A)
None
0.89A 4v04B-2x4fA:
22.3
4v04B-2x4fA:
24.34
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.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
8 / 12 LEU A 112
VAL A 120
ALA A 133
LYS A 135
ILE A 164
TYR A 182
GLY A 186
LEU A 234
16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
None
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
16X  A1374 ( 4.8A)
1.04A 5bvwA-2x4fA:
16.7
5bvwA-2x4fA:
24.56
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.
5DXB_B_ESTB601_1
(ESTROGEN RECEPTOR)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 11 ALA A 293
MET A 286
ILE A 350
HIS A 358
LEU A 361
None
1.10A 5dxbB-2x4fA:
undetectable
5dxbB-2x4fA:
22.05
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.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 9 GLY A 113
VAL A 120
ALA A 133
ILE A 164
MET A 180
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
16X  A1374 (-4.2A)
0.53A 5lw1B-2x4fA:
18.4
5lw1B-2x4fA:
15.36
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.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 10 GLY A 113
VAL A 120
ALA A 133
ILE A 164
MET A 180
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
16X  A1374 (-4.2A)
0.62A 5lw1E-2x4fA:
22.4
5lw1E-2x4fA:
15.36
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
7 / 12 GLU A 110
VAL A 120
ALA A 133
LYS A 135
TYR A 182
GLY A 186
ILE A 246
None
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
16X  A1374 (-4.1A)
0.78A 5mafA-2x4fA:
26.8
5mafA-2x4fA:
11.29
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.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
7 / 10 LEU A 112
VAL A 120
ALA A 133
MET A 180
TYR A 182
VAL A 183
LEU A 234
16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
16X  A1374 ( 4.8A)
0.93A 5n3hA-2x4fA:
26.0
5n3hA-2x4fA:
25.25
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.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 10 LEU A 163
ILE A 233
LEU A 228
LEU A 250
ALA A 251
None
None
None
EDO  A1378 ( 4.6A)
None
0.96A 5y7pG-2x4fA:
undetectable
5y7pG-2x4fA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 9 LEU A 112
VAL A 120
LYS A 135
ILE A 164
ILE A 246
16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 4.3A)
None
16X  A1374 (-4.1A)
0.91A 5yf9X-2x4fA:
26.5
5yf9X-2x4fA:
11.29
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.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
5 / 9 VAL A 120
LYS A 135
ILE A 164
ILE A 246
ASP A 247
16X  A1374 (-4.8A)
16X  A1374 ( 4.3A)
None
16X  A1374 (-4.1A)
None
1.01A 5yf9X-2x4fA:
26.5
5yf9X-2x4fA:
11.29
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.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
4 / 7 VAL A 120
LYS A 135
ILE A 164
ILE A 246
16X  A1374 (-4.8A)
16X  A1374 ( 4.3A)
None
16X  A1374 (-4.1A)
0.70A 5ywmX-2x4fA:
26.3
5ywmX-2x4fA:
11.29
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.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo
sapiens)
6 / 12 LEU A 112
VAL A 120
ALA A 133
MET A 155
TYR A 182
GLY A 186
16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
0.58A 5zv2A-2x4fA:
22.3
5zv2A-2x4fA:
14.04