Ligand ID: MTK


Drugbank ID:
DB00471
(Montelukast)


Indication:
For the treatment of asthma

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'MTK' 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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ILE E 916
ILE E 913
ILE F 916
ASN D 910
ALA E 906
1.47A14.48
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ILE C  16
ILE C  13
ILE E  16
ASN A  10
ALA C   6
1.55A8.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
SER B   9
ALA G  91
THR G  89
VAL B  16
VAL C  21
1.36A12.16
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2ajf ACE2
(Homo
sapiens)		5 / 12
SER B  43
SER B  44
ASN B 330
THR B 324
ALA B 348
1.42A20.29
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 12
SER K  15
SER H  15
ALA B   9
THR B  39
VAL B  13
1.45A14.98
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
SER D 163
ASN C 437
ASN D 164
ALA C 339
VAL C 389
1.51A17.06
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2gri NSP3
(SARSr)		5 / 12
SER A 106
ASN A  98
VAL A  51
VAL A  58
VAL A  45
1.33A13.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2gri NSP3
(SARSr)		5 / 12
ASN A  98
VAL A  51
THR A  49
VAL A  58
VAL A  45
1.29A13.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2jzd REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
SER A 650
THR A 612
VAL A 589
ALA A 590
THR A 594
1.41A15.65
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2jzf REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
SER A 651
THR A 612
VAL A 589
ALA A 590
THR A 594
1.41A15.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
SER A 293
SER A 241
ASN A 277
ALA C 325
THR C 321
1.50A23.53
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2q6g POLYPEPTIDE CHAIN
REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
SER B 147
SER B 144
ASN B  28
VAL D   4
ALA D   3
1.48A20.71
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
SER D   1
SER B   1
VAL D  24
VAL B  24
VAL D  51
1.49A23.48
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2w2g NSP3
(SARSr)		5 / 12
SER A 652
THR A 612
VAL A 589
ALA A 590
THR A 594
1.36A20.09
None
None
None
None
SO4  A1653 (-3.1A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2wct NSP3
(SARSr-CoV)		5 / 12
SER D 652
THR D 612
VAL D 589
ALA D 590
THR D 594
1.28A20.09
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		3aw0 3C-LIKE PROTEINASE
PEPTIDE
ACE-SER-ALA-VAL-LEU-
HIS-H
(SARSr-CoV)		5 / 12
SER A 147
SER A 144
ASN A  28
VAL B   4
ALA B   3
1.53A21.43
None
HSV  B   6 (-3.5A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
SER C 131
ALA B 118
THR B 206
VAL B 144
VAL B 208
1.50A19.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
SER B  43
SER B  44
ASN B 330
THR B 324
ALA B 348
1.43A20.58
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		3i6g BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 8
ILE E   7
ILE E  35
ASN E  24
VAL E   9
ALA E  79
1.52A14.22
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
SER B 254
ASN D 221
THR B 243
ALA D 206
VAL D 212
1.26A20.71
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
SER B  43
SER B  44
ASN B 330
THR B 324
ALA B 348
1.49A20.79
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		5x4r S PROTEIN
(MERS-CoV)		5 / 12
SER A 151
ASN A 166
THR A 206
ALA A 182
VAL A 286
1.44A20.65
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 8
ILE A 116
ILE A  87
ARG A  99
ILE A 219
ASN A 118
ALA A 233
1.63A20.66
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
SER C 151
ASN C 166
THR C 206
ALA C 182
VAL C 286
1.54A16.45
None
NAG  C1408 (-3.1A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 8
ILE A1063
ILE A 694
ILE A1097
ASN B 896
ALA B 881
1.45A16.82
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
SER B 712
THR B 760
ASN B 937
VAL B1042
ALA B1037
1.43A16.82
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		5x5f S PROTEIN
(MERS-CoV)		5 / 8
ILE C 433
ILE C 442
ILE C 428
ASN C 582
VAL C 584
1.42A16.45
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ILE C 234
ILE C  87
ASN C  96
VAL C  98
ALA C 250
1.29A17.46
ILE  C 234 ( 0.7A)
ILE  C  87 ( 0.6A)
ASN  C  96 ( 0.6A)
VAL  C  98 ( 0.6A)
ALA  C 250 ( 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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		5zvm SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ILE A 916
ILE A 913
ILE C 916
ASN B 910
ALA A 906
1.54A11.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER A1093
ASN B1107
ASN A 901
VAL B1104
THR B1102
1.43A17.46
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ILE B 637
ILE B 652
ASN B 602
VAL B 601
ALA B 633
1.26A17.46
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
SER A 248
THR A  71
ASN A  96
ALA A 139
THR A 148
1.53A17.55
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 8
ILE B 800
ILE B 787
ILE B 916
VAL B 860
ALA B 864
1.34A17.55
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
SER A 248
SER A  95
ASN A  78
ASN A  73
ALA A  91
1.42A16.83
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6cs2 ACE2
(Homo
sapiens)		5 / 12
SER D  43
SER D  44
ASN D 330
THR D 324
ALA D 348
1.52A20.44
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 8
ILE A 800
ILE A 787
ILE A 916
VAL A 860
ALA A 864
1.32A16.83
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		5 / 12
SER A  77
THR A  73
THR C   3
VAL A 152
ALA A 150
1.40A19.54
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6jyt HELICASE
(SARSr-CoV)		5 / 12
SER A 555
ALA A 564
THR A 566
VAL A 558
VAL A 452
1.44A22.00
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6jyt HELICASE
(SARSr-CoV)		5 / 8
ILE A 512
ILE A 545
ARG A 595
ILE A 565
VAL A 496
1.49A22.00
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6m0j ACE2
(Homo
sapiens)		5 / 12
SER A 124
SER A 128
THR A 129
ASN A 508
VAL A 343
1.42A20.50
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 8
ILE C 319
ARG C  57
ILE C 251
VAL C  55
ALA C 399
1.53A21.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6m1d ACE2
(Homo
sapiens)		5 / 8
ILE D 704
ILE D 622
ARG D 671
ILE D 727
VAL D 670
1.53A19.42
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER A 712
THR A 760
ASN A 937
VAL A1042
ALA A1037
1.52A16.75
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ILE A 800
ILE A 787
ILE A 916
VAL A 860
ALA A 864
1.35A16.75
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		5 / 12
SER L 136
THR L 169
VAL H 195
ALA H 151
VAL H 225
1.45A19.79
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
SER H 179
SER L 176
THR L 206
VAL L 146
ALA L 144
1.79A14.50
GOL  L 301 (-3.5A)
GOL  L 301 (-3.1A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
SER L 131
SER L 121
VAL H 211
VAL H 121
VAL H 152
1.75A15.69
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ILE H  51
ILE H  69
ARG H  38
ILE H  34
1.61A14.50
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
SER L 174
THR L 164
THR L 178
VAL H 181
VAL H 184
1.78A15.69
None
None
GOL  L 301 (-3.6A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
THR L 172
SER L 174
ALA L 144
THR L 197
VAL L 205
1.58A15.69
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER H 179
THR L 129
VAL H 152
VAL H 207
1.77A15.69
GOL  L 301 (-3.6A)
GOL  L 301 (-3.5A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
SER H 177
SER H 179
SER L 176
ALA H 137
VAL H 211
1.53A14.50
GOL  L 301 (-3.1A)
GOL  L 301 (-3.5A)
GOL  L 301 (-3.1A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
SER L 162
SER L 176
SER H 179
ALA H 137
THR H 135
1.74A15.69
GOL  L 301 (-3.2A)
GOL  L 301 (-3.1A)
GOL  L 301 (-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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
SER H 128
SER L 215
VAL L 191
ALA L 193
VAL L 132
1.53A14.50
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ILE H  69
ILE H  20
ILE H  51
ALA H  88
1.67A14.50
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ILE H  51
ILE H  34
ILE H  20
ASN H  76
1.34A14.50
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
THR L 172
SER L 174
ALA L 144
THR L 197
VAL L 115
1.62A15.69
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
THR C 178
SER C 180
ALA C 150
THR C 203
VAL C 211
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
SER B 181
SER B 183
SER C 182
ALA B 141
VAL B 215
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER L 180
ALA L 150
THR L 203
VAL L 121
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
THR C 178
SER C 180
ALA C 150
THR C 203
VAL C 121
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER L 180
ALA L 150
THR L 203
VAL L 211
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
SER H 181
SER H 183
SER L 182
ALA H 141
VAL H 215
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR H 169
SER H 184
ASN H 201
ALA H 141
VAL H 215
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
SER H 181
SER H 183
SER L 182
ALA H 141
VAL H 215
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER L 180
ALA L 150
THR L 203
VAL L 121
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER L 180
ALA L 150
THR L 203
VAL L 211
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
SER B 181
SER B 183
SER C 182
ALA B 141
VAL B 215
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER L 180
ALA L 150
THR L 203
VAL L 121
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
SER H 181
SER H 183
SER L 182
ALA H 141
VAL H 215
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER L 180
ALA L 150
THR L 203
VAL L 211
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
THR C 178
SER C 180
ALA C 150
THR C 203
VAL C 121
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
THR C 178
SER C 180
ALA C 150
THR C 203
VAL C 211
1.58A
None