Ligand ID: XIN


Drugbank ID:
DB09079
(Nintedanib)


Indication:
Nintedanib is indicated for the treatment of idiopathic pulmonary fibrosis (IPF).

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'XIN' 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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		6 / 12
LEU B 115
GLU B  14
VAL B 157
CYH B  16
GLY B  29
LEU B  30
1.68A22.19
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.76A20.77
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		6 / 12
ILE B 213
GLY B 215
VAL B 212
LEU B 208
GLY B   2
ILE B 281
1.62A21.83
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.
5MAF_A_XINA403_2
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A  57
CYH A  38
LEU A  27
ASP A  48
1.57A21.33
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU B1115
GLU B1014
VAL B1157
CYH B1016
GLY B1029
LEU B1030
1.63A21.84
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE B  16
GLY C  28
ALA A  26
LEU A  27
GLU D  15
1.38A9.38
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2a5i 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.71A20.81
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		6 / 12
ILE A 213
GLY A 215
VAL A 212
LEU A 208
GLY A   2
ILE A 281
1.76A21.33
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
ALA A 212
LEU A 304
ALA A 306
VAL A 231
LEU A 235
1.45A20.27
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		5 / 12
GLU H 160
ALA H 193
LEU E  43
GLY H 149
LEU H 174
1.47A21.26
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		4 / 5
LEU H 189
VAL H 164
CYH H 119
CYH H 147
1.73A21.26
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 5
LEU D  18
VAL D  21
MET H  95
CYH D  13
1.74A13.22
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2ajf ACE2
(Homo
sapiens)		5 / 12
ALA A 413
LEU A 423
GLU A 375
MET A 360
ASN A 290
1.24A19.90
None
None
ZN  A 901 (-3.5A)
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.75A20.33
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.70A21.90
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 215
VAL A 212
LEU A 208
GLY A   2
ILE A 281
1.41A22.40
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE D1165
GLY B 928
ALA A 926
LEU A 927
GLU E1164
1.41A10.46
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		2c3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 215
VAL A 212
LEU A 208
GLY A   2
ILE A 281
1.28A21.33
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
ILE G 358
ALA G 360
TYR G 361
GLY G 285
ILE G 293
1.07A16.52
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU B 115
GLU B  14
VAL B 157
CYH B  16
GLY B  29
LEU B  30
1.64A22.70
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU B 115
VAL B 125
CYH B 160
CYH B 128
1.71A21.07
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU S 322
ALA S 350
VAL S 382
GLY S 326
ASN S 330
1.46A20.85
None
None
None
NAG  S1330 (-3.0A)
NAG  S1330 (-1.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
ALA B  31
LEU B 123
ALA B 125
VAL B  50
LEU B  54
1.41A18.80
None
None
None
APR  B 477 (-3.6A)
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLU C 180
ALA C 177
ALA C 182
GLY B 161
GLN C 175
1.35A21.51
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		2fxp SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU C  51
GLY C  48
LEU B  41
GLY A  48
GLU A  46
1.32A10.80
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 12
LEU B 104
VAL B 161
GLY B 231
GLN B 138
LEU B 136
1.47A20.78
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.
5MAF_A_XINA403_2
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		2gri NSP3
(SARSr)		4 / 5
LEU A  80
CYH A  40
LEU A  36
ASP A  29
1.47A14.08
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.76A21.24
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.68A22.13
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		6 / 12
GLY A  13
VAL A   9
ALA A   6
LEU A   2
TYR A   7
GLY A  17
1.80A21.15
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		2hsx LEADER PROTEIN
P65 HOMOLOG
NSP1
(SARSr-CoV)		6 / 12
GLU A  33
ALA A  31
VAL A  58
CYH A  40
GLY A  38
LEU A   7
1.71A19.17
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 5
LEU B 115
VAL B 125
CYH B 160
CYH B 128
1.73A20.71
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		6 / 12
LEU B 115
GLU B  14
VAL B 157
CYH B  16
GLY B  29
LEU B  30
1.70A22.13
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.70A21.90
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.75A20.81
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.66A22.19
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
GLU A 288
ALA A 206
LEU A 250
GLY A 109
GLU A 240
1.42A21.33
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 5
LEU B 115
VAL B 125
CYH B 160
CYH B 128
1.78A21.24
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		2qc2 3C-LIKE PROTEINASE
(-)		6 / 12
LEU B 115
GLU B  14
VAL B 157
CYH B  16
GLY B  29
LEU B  30
1.67A22.35
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.77A20.27
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.70A21.85
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.70A21.59
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
GLU B 288
ALA B 206
LEU B 250
GLY B 109
GLU B 240
1.41A22.55
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		2xyq NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ALA A 107
LEU A  85
ALA A  83
VAL B  42
GLY A  73
1.51A17.98
None
None
None
None
SAH  A1293 (-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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		6 / 12
ALA A  25
LEU A  79
ALA A  80
GLN A  96
ASN A  33
LEU A 391
1.79A20.24
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.66A21.85
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.76A20.27
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.66A22.09
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		3ea8 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.75A20.27
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.75A20.27
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 215
VAL B 212
LEU B 208
GLY B   2
ILE B 281
1.36A21.60
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 215
ALA A 210
LEU A 208
GLY A   2
ILE A 281
1.42A21.86
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.78A20.27
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLU A 288
ALA A 206
LEU A 250
GLY A 109
GLU A 240
1.42A20.39
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.61A22.19
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A  28
VAL A  36
GLY A  71
GLN A  69
ASN A  72
1.10A20.27
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 266
LEU C 208
GLN A 273
ASN A 274
LEU A 272
1.47A20.81
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU B 115
GLU B  14
VAL B 157
CYH B  16
GLY B  29
LEU B  30
1.63A22.19
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.77A20.81
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.67A22.32
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU B 115
VAL B 125
CYH B 160
CYH B 128
1.73A20.70
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 215
VAL A 212
LEU A 208
GLY A   2
ILE A 281
1.37A21.83
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		3sci ACE2
(Homo
sapiens)		4 / 5
LEU A 503
VAL A 506
MET A 123
CYH A 498
1.79A19.90
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLU A 398
ALA A 403
ALA A 396
GLN A 524
LEU A 570
1.48A20.24
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
LEU B 503
VAL B 506
MET B 123
CYH B 498
1.77A20.24
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		3to2 MD3-C9 PEPTIDE
DERIVED FROM
MEMBRANE
GLYCOPROTEIN
MHC CLASS I ANTIGEN
(Homo
sapiens;
SARS-COV
TJF)		6 / 12
LEU A 130
GLY A 112
VAL C   5
VAL A 152
GLY A 162
CYH C   3
1.71A22.69
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU B 115
GLU B  14
VAL B 157
CYH B  16
GLY B  29
LEU B  30
1.68A21.75
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.73A21.77
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.67A22.19
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		5 / 12
GLU B 281
ALA B 279
GLU B 125
GLY B 100
LEU B 102
1.44A21.45
None
DMS  B 904 (-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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
ALA A 162
VAL A 116
GLY A 156
ASN A 157
LEU A 169
1.47A20.16
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.73A21.35
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.75A21.15
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		5c5o 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.66A22.19
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
ALA D 274
LEU D 280
ALA D 281
VAL D  83
GLY D 413
1.50A20.44
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
ALA D 274
LEU D 280
ALA D 281
VAL D  83
GLY D 413
1.43A20.59
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
LEU B 253
MET B  58
GLY B 110
GLN B 108
ASN B 116
1.39A20.36
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		5tl7 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus;
SARSr-CoV)		5 / 12
ALA B  87
LEU B  37
ALA B  40
GLU A 130
GLY B 161
1.17A21.60
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ILE C 637
VAL C 596
ALA C 639
GLY C 634
ILE C 652
1.25A13.74
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.
5MAF_A_XINA403_2
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		5x59 S PROTEIN
(MERS-CoV)		4 / 5
LEU B 347
CYH B 736
LEU C 935
ASP C 805
1.35A14.16
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
ILE A 985
GLY A 984
ALA B 962
GLU A1183
ILE A 782
1.40A14.16
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		5x59 S PROTEIN
(MERS-CoV)		4 / 5
LEU C 651
VAL C 639
CYH C 654
CYH A 925
1.30A14.32
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
ALA C 889
LEU C 952
PHE C1126
GLN C1009
ASN C 870
1.46A14.32
None
None
None
NAG  C1405 (-2.9A)
NAG  C1405 (-2.6A)
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
LEU C 322
ALA C 350
VAL C 382
GLY C 326
ASN C 330
1.35A14.27
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE B 637
GLY B 638
VAL B 628
TYR B 598
ILE B 652
1.41A14.14
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA A 350
GLU A 327
VAL A 497
PHE A 364
LEU A 499
1.28A15.03
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE A 652
GLY A 653
ALA A 676
GLY A 634
ILE B 826
1.27A14.91
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU A 322
ALA A 350
VAL A 382
GLY A 326
ASN A 330
1.37A14.47
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY C 892
VAL C 893
GLU C 900
GLY C1075
GLU C1074
1.41A14.34
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		6cs2 ACE2
(Homo
sapiens)		5 / 12
ALA D 413
LEU D 423
GLU D 375
MET D 360
ASN D 290
1.35A19.09
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		6jyt HELICASE
(SARSr-CoV)		5 / 12
GLU B 142
ALA B 407
VAL B 387
ASN B 124
LEU B 384
1.33A20.74
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6jyt HELICASE
(SARSr-CoV)		5 / 12
ILE B 370
ALA B 302
GLU B 353
TYR B 299
GLY B 294
1.34A19.73
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		6jyt HELICASE
(SARSr-CoV)		4 / 5
LEU A  41
VAL A  60
CYH A  19
CYH A  30
1.68A20.74
None
None
ZN  A 703 (-2.2A)
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.
5MAF_A_XINA403_2
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6jyt HELICASE
(SARSr-CoV)		4 / 5
CYH B  26
CYH B   8
LEU B   7
ASP B  32
1.45A19.73
 ZN  B 701 (-2.3A)
ZN  B 701 (-2.4A)
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6lzg ACE2
(Homo
sapiens)		5 / 12
GLU A 483
ILE A 484
GLY A 486
LEU A 456
TYR A 454
1.40A20.33
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		6m0j ACE2
(Homo
sapiens)		5 / 12
ALA A 413
LEU A 423
GLU A 375
MET A 360
ASN A 290
1.37A19.90
None
None
ZN  A 901 (-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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6m17 ACE2
(Homo
sapiens)		5 / 12
GLU B 483
ILE B 484
GLY B 486
LEU B 456
TYR B 454
1.38A16.63
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		6m18 ACE2
(Homo
sapiens)		6 / 12
ALA B  25
LEU B  79
ALA B  80
GLN B  96
ASN B  33
LEU B 391
1.71A18.00
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU B 285
VAL B 596
GLY B 634
GLN B 599
LEU B 597
1.28A14.64
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.
5MAF_A_XINA403_2
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6nus NSP12
(SARSr-CoV)		4 / 5
LEU A 648
CYH A 301
CYH A 310
ASP A 304
1.53A16.53
None
ZN  A1001 (-2.2A)
ZN  A1001 (-2.2A)
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		6nus NSP12
(SARSr-CoV)		4 / 5
LEU A 470
VAL A 473
MET A 633
CYH A 464
1.57A17.71
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		6nus NSP12
(SARSr-CoV)		6 / 12
LEU A 351
GLU A 277
PHE A 348
GLY A 345
ASN A 356
LEU A 329
1.48A17.71
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6nus NSP12
(SARSr-CoV)		5 / 12
GLY A 345
VAL A 535
ALA A 656
GLY A 352
ILE A 299
1.28A16.53
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU E 335
ALA E 363
VAL E 395
GLY E 339
ASN E 343
1.51A20.47
None
None
None
NAG  E 601 (-3.6A)
NAG  E 601 (-1.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
GLU L 143
ALA L 144
VAL L 146
GLY L 200
LEU L 201
1.78A19.02
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
GLU L  55
PHE H  29
GLY H  24
GLN H   3
LEU H   4
1.77A17.97
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLU C 171
VAL C 110
ALA C  90
GLY C 107
ILE C  21
1.65A
None
None
None
1PE  C 301 (-3.7A)
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
ILE B 102
GLY B 101
GLU C  61
TYR C 102
GLY B  35
1.40A
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
ILE H 102
GLY H 101
GLU L  61
TYR L 102
GLY H  35
1.41A
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLU C 149
ALA C 150
VAL C 121
GLY C 206
LEU C 207
1.57A
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
ILE H 102
GLY H 101
GLU L  61
TYR L 102
GLY H  35
1.40A
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
ILE H  34
GLY H  35
ALA H  79
GLY H 110
ILE H  20
1.36A
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
ILE H 102
GLY H 101
GLU L  61
TYR L 102
GLY H  35
1.40A
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
ILE B 102
GLY B 101
GLU C  61
TYR C 102
GLY B  35
1.39A
None