SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'HRM'


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.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 12 ALA A 236
LYS A 238
GLU A 253
LEU A 257
LEU A 326
HIS A 333
 HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
HRM  A 601 ( 4.6A)
None
None
None
 0.78A 1uwhB-5y86A:
20.5		 1uwhB-5y86A:
12.23
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.
1UWJ_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		4 / 7 ILE A 215
LYS A 238
LEU A 257
ILE A 331
 None
HRM  A 601 (-3.3A)
None
None
 0.80A 1uwjA-5y86A:
6.3		 1uwjA-5y86A:
12.23
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.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 12 ILE A 215
VAL A 223
ALA A 236
GLU A 253
LEU A 326
HIS A 333
 None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.6A)
None
None
 1.00A 1uwjB-5y86A:
6.3		 1uwjB-5y86A:
12.23
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.
1YI4_A_ADNA306_1
(PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 10 PHE A 220
ALA A 236
ILE A 272
ASP A 294
LEU A 342
ILE A 354
 HRM  A 601 ( 4.1A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.8A)
None
None
HRM  A 601 (-3.7A)
 0.84A 1yi4A-5y86A:
24.7		 1yi4A-5y86A:
12.45
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.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 12 ILE A 215
VAL A 223
LYS A 238
PHE A 288
ASN A 340
LEU A 342
ASP A 355
 None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.3A)
HRM  A 601 (-3.6A)
None
None
HRM  A 601 (-4.7A)
 0.75A 2eufB-5y86A:
30.1		 2eufB-5y86A:
13.53
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.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 12 VAL A 223
LYS A 238
PHE A 288
ASP A 294
ASN A 340
LEU A 342
ASP A 355
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.3A)
HRM  A 601 (-3.6A)
None
None
None
HRM  A 601 (-4.7A)
 0.59A 2eufB-5y86A:
30.1		 2eufB-5y86A:
13.53
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.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 12 ILE A 215
VAL A 223
ALA A 236
ILE A 272
PHE A 288
LEU A 290
LEU A 342
 None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.8A)
HRM  A 601 (-3.6A)
HRM  A 601 (-4.6A)
None
 0.44A 2y7jA-5y86A:
26.1		 2y7jA-5y86A:
12.88
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.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 10 ILE A 215
VAL A 223
ALA A 236
ILE A 272
PHE A 288
LEU A 290
ASP A 355
 None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.8A)
HRM  A 601 (-3.6A)
HRM  A 601 (-4.6A)
HRM  A 601 (-4.7A)
 0.70A 2y7jB-5y86A:
26.3		 2y7jB-5y86A:
12.88
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.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 10 ILE A 215
VAL A 223
ALA A 236
ILE A 272
PHE A 288
LEU A 290
LEU A 342
 None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.8A)
HRM  A 601 (-3.6A)
HRM  A 601 (-4.6A)
None
 0.46A 2y7jB-5y86A:
26.3		 2y7jB-5y86A:
12.88
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.
2Y7J_C_B49C1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 10 ILE A 215
VAL A 223
ALA A 236
ILE A 272
PHE A 288
LEU A 290
LEU A 342
 None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.8A)
HRM  A 601 (-3.6A)
HRM  A 601 (-4.6A)
None
 0.47A 2y7jC-5y86A:
26.0		 2y7jC-5y86A:
12.88
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.
2Y7J_D_B49D1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 10 ILE A 215
VAL A 223
ALA A 236
ILE A 272
PHE A 288
LEU A 290
LEU A 342
 None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.8A)
HRM  A 601 (-3.6A)
HRM  A 601 (-4.6A)
None
 0.50A 2y7jD-5y86A:
26.2		 2y7jD-5y86A:
12.88
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.
3HEC_A_STIA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		5 / 12 ALA A 236
LYS A 238
GLU A 253
ILE A 272
LEU A 290
 HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
HRM  A 601 ( 4.6A)
HRM  A 601 ( 4.8A)
HRM  A 601 (-4.6A)
 0.63A 3hecA-5y86A:
21.9		 3hecA-5y86A:
13.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HEG_A_BAXA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 12 VAL A 223
ALA A 236
LYS A 238
GLU A 253
LEU A 257
ILE A 272
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
HRM  A 601 ( 4.6A)
None
HRM  A 601 ( 4.8A)
 1.03A 3hegA-5y86A:
24.3		 3hegA-5y86A:
13.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_A_1N1A1000_1
(P38A)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 12 GLY A 216
VAL A 223
ALA A 236
LYS A 238
LEU A 257
ILE A 272
 None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
None
HRM  A 601 ( 4.8A)
 0.79A 3ohtA-5y86A:
7.0		 3ohtA-5y86A:
11.43
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.
3OHT_B_1N1B1000_1
(P38A)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		5 / 12 GLY A 216
VAL A 223
ALA A 236
LYS A 238
ILE A 272
 None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
HRM  A 601 ( 4.8A)
 0.51A 3ohtB-5y86A:
7.4		 3ohtB-5y86A:
11.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens) 		5 / 8 TYR A  69
GLN A 215
PHE A 352
TYR A 407
TYR A 444
 FAD  A 600 (-4.2A)
HRM  A 700 (-3.4A)
HRM  A 700 (-4.3A)
HRM  A 700 ( 3.9A)
FAD  A 600 ( 4.6A)
 0.24A 3po7A-2z5xA:
62.6		 3po7A-2z5xA:
72.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PO7_B_ZONB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens) 		6 / 9 TYR A  69
ILE A 207
GLN A 215
PHE A 352
TYR A 407
TYR A 444
 FAD  A 600 (-4.2A)
None
HRM  A 700 (-3.4A)
HRM  A 700 (-4.3A)
HRM  A 700 ( 3.9A)
FAD  A 600 ( 4.6A)
 0.23A 3po7B-2z5xA:
62.8		 3po7B-2z5xA:
72.53
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 12 VAL A 223
ALA A 236
GLU A 253
LEU A 257
ILE A 272
PHE A 288
LEU A 326
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.6A)
None
HRM  A 601 ( 4.8A)
HRM  A 601 (-3.6A)
None
 0.59A 3rgfA-5y86A:
20.8		 3rgfA-5y86A:
11.41
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 12 VAL A 223
ALA A 236
LEU A 257
ILE A 272
PHE A 288
LEU A 326
HIS A 333
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
None
HRM  A 601 ( 4.8A)
HRM  A 601 (-3.6A)
None
None
 0.63A 3rgfA-5y86A:
20.8		 3rgfA-5y86A:
11.41
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.
3TI1_A_B49A299_1
(CYCLIN-DEPENDENT
KINASE 2)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		5 / 9 ILE A 215
ALA A 236
PHE A 288
ASP A 294
LEU A 342
 None
HRM  A 601 (-3.5A)
HRM  A 601 (-3.6A)
None
None
 0.71A 3ti1A-5y86A:
27.1		 3ti1A-5y86A:
13.09
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.
3U9F_C_CLMC221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens) 		5 / 11 CYH A 406
THR A  54
SER A 223
VAL A 303
PHE A 352
 FAD  A 600 (-1.6A)
None
None
FAD  A 600 ( 4.7A)
HRM  A 700 (-4.3A)
 1.47A 3u9fA-2z5xA:
0.0
3u9fC-2z5xA:
0.0		 3u9fA-2z5xA:
16.18
3u9fC-2z5xA:
16.18
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.
3U9F_H_CLMH221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens) 		5 / 12 THR A  54
SER A 223
VAL A 303
PHE A 352
CYH A 406
 None
None
FAD  A 600 ( 4.7A)
HRM  A 700 (-4.3A)
FAD  A 600 (-1.6A)
 1.45A 3u9fH-2z5xA:
undetectable
3u9fI-2z5xA:
undetectable		 3u9fH-2z5xA:
16.18
3u9fI-2z5xA:
16.18
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.
3U9F_L_CLML221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens) 		5 / 12 CYH A 406
THR A  54
SER A 223
VAL A 303
PHE A 352
 FAD  A 600 (-1.6A)
None
None
FAD  A 600 ( 4.7A)
HRM  A 700 (-4.3A)
 1.49A 3u9fJ-2z5xA:
undetectable
3u9fL-2z5xA:
undetectable		 3u9fJ-2z5xA:
16.18
3u9fL-2z5xA:
16.18
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.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 8 VAL A 223
LYS A 238
ILE A 272
PHE A 288
ILE A 354
ASP A 355
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.3A)
HRM  A 601 ( 4.8A)
HRM  A 601 (-3.6A)
HRM  A 601 (-3.7A)
HRM  A 601 (-4.7A)
 0.50A 3warA-5y86A:
21.7		 3warA-5y86A:
12.84
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.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 12 ALA A 236
LYS A 238
GLU A 253
ILE A 272
LEU A 326
HIS A 333
LEU A 342
 HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
HRM  A 601 ( 4.6A)
HRM  A 601 ( 4.8A)
None
None
None
 0.74A 3zosB-5y86A:
14.4		 3zosB-5y86A:
12.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A79_A_P1BA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens) 		7 / 12 PRO A 113
TRP A 128
GLN A 215
ILE A 325
PHE A 352
TYR A 407
TYR A 444
 None
None
HRM  A 700 (-3.4A)
None
HRM  A 700 (-4.3A)
HRM  A 700 ( 3.9A)
FAD  A 600 ( 4.6A)
 0.49A 4a79A-2z5xA:
61.5		 4a79A-2z5xA:
72.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A79_B_P1BB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens) 		7 / 12 PRO A 113
TRP A 128
GLN A 215
ILE A 325
PHE A 352
TYR A 407
TYR A 444
 None
None
HRM  A 700 (-3.4A)
None
HRM  A 700 (-4.3A)
HRM  A 700 ( 3.9A)
FAD  A 600 ( 4.6A)
 0.55A 4a79B-2z5xA:
61.8		 4a79B-2z5xA:
72.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens) 		6 / 11 TYR A  69
GLN A 215
ILE A 325
PHE A 352
TYR A 407
TYR A 444
 FAD  A 600 (-4.2A)
HRM  A 700 (-3.4A)
None
HRM  A 700 (-4.3A)
HRM  A 700 ( 3.9A)
FAD  A 600 ( 4.6A)
 0.21A 4a7aA-2z5xA:
61.7		 4a7aA-2z5xA:
72.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens) 		7 / 12 PRO A 113
LEU A 176
GLN A 215
ILE A 325
PHE A 352
TYR A 407
TYR A 444
 None
None
HRM  A 700 (-3.4A)
None
HRM  A 700 (-4.3A)
HRM  A 700 ( 3.9A)
FAD  A 600 ( 4.6A)
 0.48A 4a7aB-2z5xA:
62.1		 4a7aB-2z5xA:
72.53
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.
4BKJ_A_STIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 12 VAL A 223
ALA A 236
GLU A 253
ILE A 256
ILE A 272
MET A 286
LEU A 342
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.6A)
None
HRM  A 601 ( 4.8A)
None
None
 0.91A 4bkjA-5y86A:
19.7		 4bkjA-5y86A:
12.90
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.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 12 ALA A 236
GLU A 253
ILE A 256
ILE A 272
MET A 286
LEU A 342
ASP A 355
 HRM  A 601 (-3.5A)
HRM  A 601 ( 4.6A)
None
HRM  A 601 ( 4.8A)
None
None
HRM  A 601 (-4.7A)
 1.16A 4bkjB-5y86A:
19.8		 4bkjB-5y86A:
12.90
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.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 12 VAL A 223
ALA A 236
GLU A 253
ILE A 256
ILE A 272
MET A 286
LEU A 342
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.6A)
None
HRM  A 601 ( 4.8A)
None
None
 0.90A 4bkjB-5y86A:
19.8		 4bkjB-5y86A:
12.90
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.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		11 / 12 PHE A 220
VAL A 223
ALA A 236
ILE A 272
ASP A 294
ASP A 335
LYS A 337
ASN A 340
LEU A 342
ILE A 354
ASP A 355
 HRM  A 601 ( 4.1A)
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.8A)
None
None
PO4  A 602 (-3.5A)
None
None
HRM  A 601 (-3.7A)
HRM  A 601 (-4.7A)
 0.74A 4i41A-5y86A:
24.8		 4i41A-5y86A:
12.59
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		8 / 11 PHE A 220
VAL A 223
ALA A 236
LYS A 238
ASP A 294
LEU A 342
ILE A 354
ASP A 355
 HRM  A 601 ( 4.1A)
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
None
None
HRM  A 601 (-3.7A)
HRM  A 601 (-4.7A)
 0.87A 4iaaA-5y86A:
24.5		 4iaaA-5y86A:
13.07
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.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		8 / 11 VAL A 223
ALA A 236
LYS A 238
ASP A 294
GLU A 339
LEU A 342
ILE A 354
ASP A 355
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
None
None
None
HRM  A 601 (-3.7A)
HRM  A 601 (-4.7A)
 0.76A 4iaaA-5y86A:
24.5		 4iaaA-5y86A:
13.07
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.
4KF9_A_ACTA408_0
(GLUTATHIONE
S-TRANSFERASE
PROTEIN)		 2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens) 		4 / 6 TYR A 124
PRO A 114
PHE A 208
PHE A 108
 None
None
HRM  A 700 (-3.5A)
None
 1.34A 4kf9A-2z5xA:
undetectable		 4kf9A-2z5xA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		5 / 8 ILE A 215
VAL A 223
ALA A 236
ASN A 340
LEU A 342
 None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
None
None
 0.55A 4ogrA-5y86A:
29.8		 4ogrA-5y86A:
11.66
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.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		5 / 8 VAL A 223
ALA A 236
ASP A 294
ASN A 340
LEU A 342
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
None
None
None
 0.63A 4ogrA-5y86A:
29.8		 4ogrA-5y86A:
11.66
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.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 9 VAL A 223
ALA A 236
ASP A 294
ASN A 340
LEU A 342
ASP A 355
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
None
None
None
HRM  A 601 (-4.7A)
 0.74A 4ogrI-5y86A:
23.8		 4ogrI-5y86A:
11.66
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.
4OTI_A_MI1A1001_1
(SERINE/THREONINE-PRO
TEIN KINASE N1)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		7 / 12 GLY A 216
GLY A 218
GLY A 221
VAL A 223
ALA A 236
LYS A 238
LEU A 342
 None
PO4  A 602 (-3.5A)
None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
None
 0.59A 4otiA-5y86A:
14.2		 4otiA-5y86A:
14.54
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.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 11 ILE A 215
ALA A 236
GLU A 253
LEU A 291
LEU A 342
ASP A 355
 None
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.6A)
None
None
HRM  A 601 (-4.7A)
 0.73A 4qmsA-5y86A:
25.4		 4qmsA-5y86A:
11.88
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.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 11 ILE A 215
ALA A 236
LYS A 238
LEU A 291
LEU A 342
ASP A 355
 None
HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
None
None
HRM  A 601 (-4.7A)
 0.86A 4qmsA-5y86A:
25.4		 4qmsA-5y86A:
11.88
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.
4QMZ_A_B49A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 12 ILE A 215
GLY A 216
VAL A 223
ALA A 236
LEU A 291
LEU A 342
 None
None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
None
None
 0.59A 4qmzA-5y86A:
25.4		 4qmzA-5y86A:
11.88
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.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 10 ILE A 215
ALA A 236
LYS A 238
ILE A 272
LEU A 290
LEU A 342
 None
HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
HRM  A 601 ( 4.8A)
HRM  A 601 (-4.6A)
None
 0.44A 4rz7A-5y86A:
8.8		 4rz7A-5y86A:
6.98
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)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		5 / 12 ALA A 236
LYS A 238
LEU A 257
ASP A 355
PHE A 356
 HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
None
HRM  A 601 (-4.7A)
None
 0.86A 4xv2B-5y86A:
20.8		 4xv2B-5y86A:
13.01
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.
5IZJ_G_AZ1G2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		5 / 7 GLY A 216
GLY A 218
SER A 219
VAL A 223
LYS A 238
 None
PO4  A 602 (-3.5A)
PO4  A 602 (-2.7A)
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.3A)
 0.65A 5izjA-5y86A:
24.1		 5izjA-5y86A:
12.46
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		5 / 7 GLY A 216
GLY A 218
VAL A 223
LYS A 238
ASP A 355
 None
PO4  A 602 (-3.5A)
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.3A)
HRM  A 601 (-4.7A)
 0.72A 5j5xA-5y86A:
24.8		 5j5xA-5y86A:
12.46
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 12 GLY A 216
VAL A 223
ALA A 236
PHE A 288
ASP A 294
LEU A 342
 None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 (-3.6A)
None
None
 0.66A 5l2iA-5y86A:
13.1		 5l2iA-5y86A:
13.07
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.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		5 / 9 ILE A 215
GLY A 216
VAL A 223
ALA A 236
ILE A 272
 None
None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.8A)
 0.43A 5lw1B-5y86A:
26.4		 5lw1B-5y86A:
19.19
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.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		5 / 10 GLY A 216
VAL A 223
ALA A 236
ILE A 272
LEU A 290
 None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.8A)
HRM  A 601 (-4.6A)
 0.46A 5lw1E-5y86A:
26.1		 5lw1E-5y86A:
19.19
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.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		4 / 8 ALA A 236
GLU A 253
LEU A 342
ASP A 355
 HRM  A 601 (-3.5A)
HRM  A 601 ( 4.6A)
None
HRM  A 601 (-4.7A)
 0.64A 5owrA-5y86A:
13.6		 5owrA-5y86A:
14.38
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.
5Y9M_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		5 / 8 VAL A 223
LYS A 238
PHE A 288
ILE A 354
ASP A 355
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.3A)
HRM  A 601 (-3.6A)
HRM  A 601 (-3.7A)
HRM  A 601 (-4.7A)
 0.31A 5y9mX-5y86A:
22.0		 5y9mX-5y86A:
22.00
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.
5YF9_B_NIOB401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		5 / 7 VAL A 223
LYS A 238
PHE A 288
ILE A 354
ASP A 355
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.3A)
HRM  A 601 (-3.6A)
HRM  A 601 (-3.7A)
HRM  A 601 (-4.7A)
 0.51A 5yf9B-5y86A:
27.7		 5yf9B-5y86A:
22.00
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.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 9 VAL A 223
LYS A 238
ILE A 272
PHE A 288
ILE A 354
ASP A 355
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.3A)
HRM  A 601 ( 4.8A)
HRM  A 601 (-3.6A)
HRM  A 601 (-3.7A)
HRM  A 601 (-4.7A)
 0.50A 5yf9X-5y86A:
19.1		 5yf9X-5y86A:
22.00
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.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		6 / 7 VAL A 223
LYS A 238
ILE A 272
PHE A 288
ILE A 354
ASP A 355
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.3A)
HRM  A 601 ( 4.8A)
HRM  A 601 (-3.6A)
HRM  A 601 (-3.7A)
HRM  A 601 (-4.7A)
 0.37A 5ywmX-5y86A:
27.4		 5ywmX-5y86A:
22.00
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.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3
(Homo
sapiens) 		5 / 12 LEU A 257
GLU A 253
ASP A 355
LEU A 326
PHE A 288
 None
HRM  A 601 ( 4.6A)
HRM  A 601 (-4.7A)
None
HRM  A 601 (-3.6A)
 1.45A 6aphA-5y86A:
undetectable		 6aphA-5y86A:
9.86