Ligand ID: 032


Drugbank ID:
DB08881
(Vemurafenib)


Indication:
Vemurafenib is approved since 2011 for the treatment of metastatic melanoma with a mutation on BRAF in the valine located in the exon 15 at codon 600, this mutation is denominated as V600E.[A31270] The V600E mutation, a substitution of glutamic acid for valine, accounts for 54% of the cases of cutaneous melanoma.[A31271]

Get human targets for 032 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '032' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 5
ILE B  43
SER B  81
HIS B  80
ASP B  56
1.64A21.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
VAL B 125
ALA B   7
SER A 113
GLY A  11
GLY B  15
1.58A21.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
VAL A 114
ALA A 116
LEU B   0
PHE B   3
GLY B   2
1.34A21.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA A  54
ILE A  65
THR A  67
ALA A  43
GLY A  38
1.28A14.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA A  54
ILE A  91
ILE A  65
THR A  67
PHE A  40
0.95A14.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA B  54
ILE B  65
THR B  67
SER B  46
PHE B  40
1.22A17.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
LEU A  91
ILE A 124
SER A  98
GLY A  92
GLY A  57
1.40A19.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA B 206
ILE B 213
ALA B 211
CYH B 300
GLY B 302
1.40A19.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 138
VAL A 114
ALA A   7
ALA B   7
GLY A  15
1.52A19.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
PHE A 150
LYS A 102
SER A 113
ASP A 153
1.58A20.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		1x7q HLA, A-11
(Homo
sapiens)		5 / 12
ALA A 153
LEU A 130
TRP A 133
GLY A 112
PHE A 109
1.52A21.36
GOL  A5006 ( 3.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		1x7q HLA, A-11
(Homo
sapiens)		4 / 6
PHE A   8
SER A  13
VAL A  12
ASP A  74
1.49A22.12
GOL  A5003 (-4.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		1x7q HLA, A-11
(Homo
sapiens)		5 / 12
GLY A 120
THR A  80
TYR A  85
ALA A 139
ASP A 122
1.36A22.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		1x7q HLA, A-11
(Homo
sapiens)		5 / 12
GLY A 120
THR A  80
TYR A  85
ALA A 139
ASP A 122
1.36A22.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA B1145
SER B1139
GLY B1174
PHE B1181
GLY B1179
1.44A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 259
ILE A 213
THR A 257
ALA A 260
GLY A 215
1.41A20.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
ALA A   7
SER B1113
GLY B1011
GLY A  15
1.54A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.57A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 6
PHE A 150
LYS A 102
SER A 113
ASP A 153
1.56A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
VAL B 125
ALA B   7
SER A 113
GLY A  11
GLY B  15
1.57A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
ALA D 284
ILE B 223
PHE B 314
GLY B 279
GLY B 261
1.14A21.48
None
None
GOL  B1004 (-4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2ajf SPIKE PROTEIN
(SARSr-CoV)		5 / 12
VAL E 497
LEU E 355
SER E 362
PHE E 361
GLY E 326
1.50A19.72
None
None
None
None
NAG  E1330 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE B 259
ILE B 213
THR B 257
ALA B 260
PHE B 219
1.40A20.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
ALA A   7
SER B 113
GLY B  11
GLY A  15
1.50A21.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
GLY E 288
ALA E 309
ILE E 338
ALA F 314
GLY E 336
1.53A17.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE B  78
VAL B  91
PHE B 103
HIS B  64
1.76A21.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.52A21.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY H 118
VAL H 198
THR H 165
ALA H 168
GLY H 139
1.52A24.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY H  99
ILE H  34
ILE H  53
ALA H  93
GLY H  55
1.41A24.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY S 391
VAL S 496
ALA S 406
PHE S 416
GLY S 418
1.53A21.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 12
GLY O  35
ILE O  99
THR O 111
ALA O  24
GLY O  69
1.49A20.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA E 422
ILE E 397
TYR E 494
PHE E 416
GLY E 418
1.38A21.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
ILE B  51
VAL B  50
ALA B  33
THR A 487
GLY A 434
1.29A20.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 12
ALA D  92
LEU D 112
SER D 116
GLY D  10
GLY D   8
1.48A21.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
GLY B 288
ALA B 309
ILE B 338
ALA A 314
GLY B 336
1.49A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.54A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
VAL A   5
ALA A  59
ALA A  54
CYH A 102
GLY A 100
1.49A23.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
PHE A  98
SER A  51
VAL A  52
ASP A  34
1.18A14.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 5
ILE B  43
SER B  81
HIS B  80
ASP B  56
1.51A21.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
VAL B 125
ALA B   7
SER A 113
GLY A  11
GLY B  15
1.55A21.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
GLY B 125
ILE B  85
ILE B  63
ALA B  80
GLY B 164
1.39A23.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.64A21.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 12
ILE A 259
ILE A 213
THR A 257
ALA A 260
GLY A 215
1.38A20.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.59A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2q6g POLYPEPTIDE CHAIN
REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
ALA B 173
THR B 135
SER D   2
GLY B 170
GLY A   2
1.50A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2q6g POLYPEPTIDE CHAIN
REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
ALA A 173
THR A 135
SER C   2
GLY A 170
GLY B   2
1.46A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.61A21.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 6
PHE B 150
LYS B 102
SER B 113
ASP B 153
1.39A20.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A  11
ILE A 106
ILE A 136
CYH A 160
GLY A 174
1.25A19.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.65A21.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
VAL C   5
ALA C  59
ALA C  54
CYH C 102
GLY C 100
1.40A23.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
GLY E  76
VAL E 121
ILE E 107
ASP F  36
GLY E 100
1.05A23.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
ALA B 194
THR B 169
GLY B 138
PHE A   3
GLY A 283
1.27A21.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.63A21.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
ALA B 194
THR B 169
GLY B 138
PHE A   3
GLY A 283
1.18A21.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2xyq NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
ILE A  40
VAL A  44
PHE A 103
CYH B  41
1.80A23.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ALA A 258
ILE A 281
THR A 257
GLY A 278
GLY A 165
1.32A23.08
None
None
None
None
NA  A1295 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2xyr NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
ILE A  40
VAL A  44
PHE A 103
CYH B  41
1.79A23.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
PHE A 150
SER A 292
VAL A 118
ASP A 114
1.61A22.87
None
None
None
SFG  A1298 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2xyv NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
VAL A 104
ALA A  79
THR A  82
GLY B  69
PHE B  96
1.47A23.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ALA A 258
ILE A 281
THR A 257
GLY A 278
GLY A 165
1.32A23.03
None
None
None
None
NA  A1294 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		2z9l 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
ALA A   7
SER B 113
GLY B  11
GLY A  15
1.49A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.67A23.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3avz 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 204
ILE A 281
ILE A 286
ALA A 211
GLY A 275
1.36A19.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3avz 3C-LIKE PROTEINASE
PEPTIDE
ACE-SER-ALA-VAL-ALC-
HIS-H
(SARSr-CoV)		5 / 12
ILE A 136
THR A 135
SER B   2
GLY A 170
GLY A 138
1.34A23.22
None
None
ACE  B   1 ( 4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		4 / 5
ILE S 489
PHE S 360
HIS H  35
ASP H  56
1.23A19.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
VAL S 497
LEU S 355
SER S 362
PHE S 361
GLY S 326
1.43A19.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
GLY A 391
VAL A 496
ALA A 406
PHE A 416
GLY A 418
1.53A20.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLY A 575
VAL A 573
ILE A 544
ALA A 533
GLY A 405
1.35A19.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 259
ILE A 213
THR A 257
ALA A 260
GLY A 215
1.40A18.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.64A21.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
ALA A   7
SER B 113
GLY B  11
GLY A  15
1.50A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3e9s NSP3
(SARSr-CoV)		5 / 12
ALA A 146
LYS A  93
LEU A  88
THR A  91
GLY A  39
1.36A22.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.59A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 259
ILE A 213
THR A 257
ALA A 260
GLY A 215
1.33A19.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
PHE A 150
LYS A 102
SER A 113
ASP A 153
1.63A19.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 183
VAL B 186
THR B 190
ALA B 193
ASP A 248
1.42A19.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ILE A 259
ILE C 213
THR A 257
ALA A 260
GLY C 215
1.36A16.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
ALA A  54
ILE A  65
THR A  67
SER A  46
PHE A  40
1.16A17.08
None
GOL  A 127 ( 4.0A)
GOL  A 127 (-3.4A)
None
GOL  A 127 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
GLY C  63
THR A  62
TYR C  66
ALA C  54
PHE C  40
1.35A15.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
ALA D  54
ILE D  91
ILE D  65
THR D  67
PHE D  40
0.94A15.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.62A20.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 114
ALA A 116
ALA A 139
ASP A 295
GLY A 174
1.51A20.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 138
ALA B 129
ILE B 106
THR B 111
PHE B   8
1.54A20.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.62A21.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		5 / 12
VAL D  34
ALA D  24
LEU F   1
GLY F   0
GLY D  62
1.50A20.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3i6k HLA, A-2
(Homo
sapiens)		4 / 6
PHE E  22
SER E  11
VAL E  12
ASP E  39
1.56A23.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3i6k HLA, A-2
(Homo
sapiens)		5 / 12
GLY A 120
THR A  80
TYR A  85
ALA A 139
ASP A 122
1.37A23.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3i6k HLA, A-2
(Homo
sapiens)		5 / 12
GLY A 120
THR A  80
TYR A  85
ALA A 139
ASP A 122
1.37A23.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3i6l HLA, A-24
(Homo
sapiens)		4 / 6
PHE D   8
SER D  13
VAL D  12
ASP D  74
1.40A19.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3i6l HLA, A-24
(Homo
sapiens)		5 / 12
GLY D 120
ALA D  81
TYR D  85
ALA D 139
ASP D 122
1.36A19.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE B  43
SER B  81
HIS B  80
ASP B  56
1.43A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.59A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
PHE A 150
LYS A 102
SER A 113
ASP A 153
1.55A19.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
ALA A   7
SER B 113
GLY B  11
GLY A  15
1.50A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.66A21.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.59A21.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
PHE A 150
LYS A 102
SER A 113
ASP A 153
1.65A20.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
ALA A   7
SER B 113
GLY B  11
GLY A  15
1.59A21.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
PHE A 150
SER A 292
VAL A 118
ASP A 114
1.57A23.46
None
None
None
SAM  A 302 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		4 / 5
ILE A  40
VAL A  44
PHE A 103
CYH B  41
1.78A22.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ALA A 258
ILE A 281
THR A 257
GLY A 278
GLY A 165
1.35A22.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3sci ACE2
(Homo
sapiens)		5 / 12
GLY A 575
VAL A 573
ILE A 544
ALA A 533
GLY A 405
1.39A19.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3sck ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LYS B 353
THR F 486
SER B  47
SER B  43
GLY F 482
1.41A18.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLY A 575
VAL A 573
ILE A 544
ALA A 533
GLY A 405
1.40A19.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
PHE A 150
LYS A 102
SER A 113
ASP A 153
1.51A19.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		3tns MAIN PROTEASE
(SARSr-CoV)		4 / 6
PHE A 150
LYS A 102
SER A 113
ASP A 153
1.40A19.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 12
ALA A 153
LEU A 130
TRP A 133
GLY A 112
PHE A 109
1.48A20.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.51A21.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
PHE A 150
LYS A 102
SER A 113
ASP A 153
1.69A19.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
ALA A   7
SER B 113
GLY B  11
GLY A  15
1.59A21.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		4m0w REPLICASE
POLYPROTEIN 1A
UBIQUITIN
(Bos
taurus;
SARSr-CoV)		5 / 12
ILE A 223
VAL A 188
LYS A 196
THR A 198
PHE B  45
1.59A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.43A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
PHE A 150
LYS A 102
SER A 113
ASP A 153
1.65A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
ILE A 149
VAL A  90
PHE A  83
PHE A  34
GLY A  37
1.60A20.41
PO4  A 402 (-4.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
ALA A   7
SER B 113
GLY B  11
GLY A  15
1.53A23.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 145
SER A 139
GLY A 174
PHE A 181
GLY A 179
1.43A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B 125
ALA B   7
SER A 113
GLY A  11
GLY B  15
1.54A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE B  43
SER B  81
HIS B  80
ASP B  56
1.59A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 259
ILE A 213
THR A 257
ALA A 260
GLY A 215
1.39A19.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 6
PHE D 401
SER D 369
VAL D 389
ASP D 432
1.54A19.23
G3A  D 606 (-3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
GLY D  93
ILE D 275
THR D 277
ALA D 187
GLY D 265
1.38A19.23
None
None
None
MG  D 604 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
ILE B 332
PHE B 426
SER B 369
HIS B 373
1.48A19.12
None
G3A  B 606 (-3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
GLY D  93
ILE D 275
THR D 277
ALA D 187
GLY D 265
1.30A19.23
None
None
None
MG  D 604 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
GLY D  93
ILE D 275
THR D 277
ALA D 187
GLY D 265
1.40A19.23
None
None
None
MG  D 604 (-3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 6
PHE D 401
SER D 369
VAL D 389
ASP D 432
1.63A19.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
PHE B 426
SER B 369
HIS B 373
ASP B 352
1.50A19.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
GLY D  93
ILE D 275
THR D 277
ALA D 187
GLY D 265
1.34A19.23
None
None
None
MG  D 604 (-3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
GLY B 248
VAL B 244
ILE B  80
CYH B 285
PHE B 286
1.34A18.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 6
PHE A 401
SER A 369
VAL A 389
ASP A 432
1.70A18.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
GLY C  93
ILE C 275
THR C 277
ALA C 187
GLY C 265
1.49A18.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 5
ILE D 332
PHE D 426
SER D 369
HIS D 373
1.36A18.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA D 146
LYS D  93
LEU D  88
THR D  91
GLY D  39
1.39A22.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
PHE A 952
SER C 370
VAL C 369
ASP C 415
1.43A13.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA B 857
ILE B 852
SER A 686
SER A 685
GLY A 682
1.34A12.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ILE A 724
PHE A 952
SER A 728
ASP A 976
1.67A12.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY C 298
VAL C 583
ILE C 637
ALA C 676
GLY C 625
1.37A13.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5x4r S PROTEIN
(MERS-CoV)		5 / 12
ALA A 146
SER A 227
PHE A 228
PHE A 164
GLY A 150
1.41A21.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE A 115
VAL A 114
ALA A 127
PHE A 193
GLY A 192
1.39A17.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ILE C 570
LEU C 532
THR C 559
PHE C 529
GLY C 536
1.49A12.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLY C 536
ALA A 834
ILE A 832
ASP A 727
GLY C 634
1.45A13.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLY B1028
ILE C 878
ILE B 696
ALA C 866
GLY B1075
1.34A13.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 4
CYH A 635
PHE A 629
ILE A 584
GLY A 638
1.56A13.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 5
ILE C 891
VAL C 893
PHE B1077
HIS C1030
1.63A12.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ALA A 695
LEU B 876
ILE A 687
GLY B 867
GLY B 862
1.38A12.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5x5c S PROTEIN
(MERS-CoV)		4 / 6
PHE A 571
SER A 459
VAL A 458
ASP A 422
1.71A12.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
GLY B 572
ALA C 260
THR C 259
ALA B 520
GLY B 578
1.36A12.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
VAL A 941
ALA A 945
LEU A1134
THR A 948
GLY A1133
1.28A12.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
GLY B 572
ALA C 260
THR C 259
ALA B 520
GLY B 578
1.31A12.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
ALA A 146
SER A 227
PHE A 228
PHE A 164
GLY A 150
1.40A12.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL B 628
ALA B 639
ILE B 584
ILE B 637
ALA B 658
1.03A13.52
VAL  B 628 ( 0.6A)
ALA  B 639 ( 0.0A)
ILE  B 584 ( 0.7A)
ILE  B 637 ( 0.6A)
ALA  B 658 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
ALA A 146
LYS A  93
LEU A  88
THR A  91
GLY A  39
1.39A22.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE B 115
VAL B 114
ALA B 127
PHE B 193
GLY B 192
1.31A12.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY A 871
ALA A 765
ILE A 852
ASP B1023
GLY A1041
1.31A13.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6acg ACE2
(Homo
sapiens)		5 / 12
ALA D 372
ILE D 379
ALA D 304
ASP D 335
GLY D 326
1.53A19.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ILE A 891
VAL A 893
PHE A1092
HIS A1030
1.42A12.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
PHE B 220
PHE B 231
SER B 165
VAL B 123
1.28A13.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ILE B 704
PHE B 799
SER B1033
HIS B1046
1.60A12.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL B 628
ALA B 639
ILE B 584
ILE B 637
ALA B 658
1.02A13.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL A  97
ALA A 250
THR A  71
PHE A 238
GLY A 246
1.53A12.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6ack ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 6
PHE D  40
PHE C 483
SER D  44
ASP D  38
1.67A19.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA C 676
ILE C 584
SER C 645
SER C 680
GLY C 298
1.42A12.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE C 570
LEU C 532
THR C 559
PHE C 529
GLY C 536
1.56A12.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
ILE C 704
PHE C 799
SER C1033
HIS C1046
1.69A13.00
None
NAG  C1306 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
ILE C 891
VAL C 893
PHE B1071
HIS C1030
1.66A13.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL A 307
ALA A 577
GLY A 536
PHE A 527
GLY A 534
1.60A13.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
ILE C 115
VAL C 102
PHE C  69
HIS C 149
1.51A13.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ALA C 250
THR C  71
SER C 173
PHE C 238
PHE C  22
1.44A13.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
LYS C 175
SER C 141
VAL C 140
ASP C 171
1.10A13.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY A 255
ALA A  91
ILE A 203
THR A  92
TYR A 252
1.49A13.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ALA C 857
ILE C 852
THR C 856
SER C 785
GLY C1041
1.27A13.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL C 394
ALA C 422
LEU C 355
PHE C 387
GLY C 418
1.35A12.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY B 625
ALA B 595
ILE B 652
ALA B 676
GLY B 580
1.31A13.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
ILE C 704
PHE C 799
SER C1033
HIS C1046
1.31A13.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6jyt HELICASE
(SARSr-CoV)		5 / 12
VAL B 496
ILE B 575
THR B 547
ALA B 522
GLY B 478
1.46A19.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6jyt HELICASE
(SARSr-CoV)		5 / 12
VAL B 449
ALA B 463
THR B 440
GLY B 285
GLY B 282
1.24A17.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		6m17 ACE2
SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
ILE D 753
VAL C 207
ALA C 204
LEU C  52
CYH C 200
1.49A15.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
PHE C 279
PHE C 433
SER C 307
VAL C 306
1.56A19.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
ILE C 462
THR C 466
SER C 134
GLY C 126
GLY C 438
1.44A18.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
VAL C 321
LEU C 424
PHE C 420
PHE C 400
GLY C 397
1.42A18.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6m1d ACE2
(Homo
sapiens)		4 / 5
ILE D 711
PHE B 643
SER D 709
ASP B 713
1.63A15.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
LEU C  86
CYH C  49
SER C 278
PHE C 279
GLY C  82
1.34A18.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL A 497
LEU A 355
SER A 362
PHE A 361
GLY A 326
1.58A12.26
None
None
None
None
NAG  A1316 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
PHE B 551
SER B 516
VAL B 314
ASP B 564
1.66A13.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE B 570
LEU B 532
THR B 559
PHE B 529
GLY B 536
1.48A12.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ILE A 891
VAL A 893
PHE B1071
HIS A1030
1.61A12.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA B 695
ILE B 687
GLY A 867
PHE A 870
GLY A 862
1.47A12.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY B 625
ALA B 595
ILE B 652
ALA B 676
GLY B 580
1.37A13.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY H 132
VAL H 212
THR H 179
ALA H 182
GLY H 153
1.51A23.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6nur NSP12
(SARSr-CoV)		4 / 5
ILE A 837
VAL A 880
CYH A 842
HIS A 439
1.46A14.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6nur NSP12
(SARSr-CoV)		5 / 12
ALA A 585
ILE A 579
THR A 582
ASP A 743
GLY A 485
1.50A15.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		6nur NSP12
(SARSr-CoV)		5 / 12
ILE A 757
LEU A 663
LEU A 630
CYH A 697
GLY A 679
1.47A13.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6nus NSP12
NSP8
(SARSr-CoV)		4 / 5
ILE A 333
SER A 363
HIS A 362
ASP B  99
1.65A14.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
ILE L  48
TYR L  87
ASP L   9
PHE L  71
GLY L  66
1.60A19.16
None
None
SO4  L 303 (-4.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
GLY H 118
VAL H 198
THR H 165
ALA H 168
ASP H 144
1.69A18.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
GLY H  95
ILE L  48
THR L  53
ALA L  34
GLY L  57
1.59A18.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
GLY L 101
VAL L 104
ALA L  84
ILE L 106
GLY L  16
1.57A19.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
ILE H  20
LEU H 170
THR H  87
TRP H  82
PHE H 146
1.76A19.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
ILE L  48
TYR L  87
ASP L   9
PHE L  71
GLY L  66
1.68A19.16
None
None
SO4  L 303 (-4.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
GLY H 118
VAL H 198
THR H 165
ALA H 168
ASP H 144
1.71A18.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
GLY H  94
ILE L  48
THR L  53
ALA L  34
GLY L  57
1.79A18.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
GLY H 118
VAL H 198
THR H 165
ALA H 168
GLY H 139
1.48A18.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
GLY L  99
ILE L  48
ILE L  75
TYR L  36
ALA L  34
1.76A19.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
GLY H  97
ILE L  48
THR L  53
ALA L  34
GLY L  57
1.66A18.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
GLY L 101
VAL L 104
ALA L  84
ILE L 106
GLY L  16
1.60A19.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY B 122
VAL B 202
THR B 169
ALA B 172
ASP B 148
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
ILE L  54
TYR L  93
ASP L   9
PHE L  77
GLY L  72
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
ALA H 129
LYS H 214
LEU H 193
SER H 219
GLY H 194
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLY L 107
VAL L 110
ALA L  90
ILE L 112
GLY L  16
1.64A
1PE  L1603 (-4.3A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
ILE C  54
TYR C  93
ASP C   9
PHE C  77
GLY C  72
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLY C 107
VAL C 110
ALA C  90
ILE C 112
GLY C  16
1.77A
1PE  C 301 (-3.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY H 161
ILE B  70
TYR B  80
ALA B  79
GLY B  66
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
ALA H 129
LYS H 214
LEU H 193
SER H 219
GLY H 194
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY B 122
VAL B 202
THR B 169
ALA B 172
GLY B 143
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY H 161
ILE B  70
TYR B  80
ALA B  72
GLY B  66
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY H 122
VAL H 202
THR H 169
ALA H 172
ASP H 148
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY H 122
VAL H 202
THR H 169
ALA H 172
GLY H 143
1.45A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLY L  47
ALA H  92
THR H  91
PHE H 150
GLY H 178
1.75A
1PE  L1603 (-3.6A)
None
None
MLI  H 301 ( 4.7A)
MLI  H 301 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLY L 107
VAL L 110
ALA L  90
ILE L 112
GLY L  16
1.67A
1PE  L1603 (-4.3A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY B 122
ALA B 118
THR B  91
ASP B 148
GLY B  42
1.67A
None
None
None
None
1PE  C 301 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLY L 107
VAL L 110
ALA L  90
ILE L 112
GLY L  16
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY H 122
VAL H 202
THR H 169
ALA H 172
GLY H 143
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY H 122
VAL H 202
THR H 169
ALA H 172
GLY H 143
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLY L 105
ILE L  54
ILE L  81
TYR L  42
ALA L  40
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
ALA H 129
LYS H 214
LEU H 193
SER H 219
GLY H 194
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
ILE L  54
TYR L  93
ASP L   9
PHE L  77
GLY L  72
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLY L 107
VAL L 110
ALA L  90
ILE L 112
GLY L  16
1.52A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY H 122
VAL H 202
THR H 169
ALA H 172
ASP H 148
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU L 141
SER L 168
PHE H 170
PHE L 124
GLY H 143
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
GLY H 122
VAL H 202
THR H 169
ALA H 172
GLY H 143
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
GLY B 122
VAL B 202
THR B 169
ALA B 172
GLY B 143
1.45A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ALA H 129
LYS H 214
LEU H 193
SER H 219
GLY H 194
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
GLY B 122
VAL B 202
THR B 169
ALA B 172
ASP B 148
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
GLY C 107
VAL C 110
ALA C  90
ILE C 112
GLY C  16
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
GLY C 107
VAL C 110
ALA C  90
ILE C 112
GLY C  16
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
GLY L 107
VAL L 110
ALA L  90
ILE L 112
GLY L  16
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ALA B 129
LYS B 214
LEU B 193
SER B 219
GLY B 194
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ALA B 129
LYS B 214
LEU B 193
SER B 219
GLY B 194
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ALA H 129
LYS H 214
LEU H 193
SER H 219
GLY H 194
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
GLY L 107
VAL L 110
ALA L  90
ILE L 112
GLY L  16
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
ILE C  54
TYR C  93
ASP C   9
PHE C  77
GLY C  72
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
GLY H 122
VAL H 202
THR H 169
ALA H 172
ASP H 148
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
ILE L  54
TYR L  93
ASP L   9
PHE L  77
GLY L  72
1.63A
None