Ligand ID: JMS


Drugbank ID:
DB00939
(Meclofenamic acid)


Indication:
For the relief of mild to moderate pain, for the treatment of primary dysmenorrhea and for the treatment of idiopathic heavy menstrual blood loss. Also for relief of the signs and symptoms of acute and chronic rheumatoid arthritis and osteoarthritis.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'JMS' 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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
VAL B 125
LEU B 115
VAL B  13
GLY B  11
SER A  10
1.35A19.40
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		3 / 3
VAL B 157
SER B 113
MET B 130
1.50A19.40
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.35A19.40
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A 114
SER A 144
MET A 165
1.42A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B1125
LEU B1115
VAL B1013
GLY B1011
SER A  10
1.26A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B1125
LEU B1115
VAL B1013
GLY B1011
SER A  10
1.27A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 8
LEU K  20
THR K  22
ARG L  18
LEU G  20
SER K  14
1.63A11.32
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
VAL B 125
LEU B 115
VAL B  13
GLY B  11
SER A  10
1.32A20.44
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
VAL B 125
LEU B 115
VAL B  13
GLY B  11
SER A  10
1.32A20.44
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		3 / 3
VAL B 277
SER B 300
MET B 215
1.19A17.92
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2ahm REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 8
LEU B  64
LEU B  60
VAL B  16
SER B  20
HIS B  41
1.73A9.73
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 8
LEU E 108
LEU E 103
VAL A  17
SER A  15
1.36A15.97
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.31A20.56
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.31A20.56
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
LEU A 920
THR A 922
LEU B 920
SER A 914
1.37A6.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		4 / 8
LEU D  53
THR C  96
ARG C  48
HIS C  14
1.36A10.76
D10  C1099 ( 4.8A)
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A 157
SER A 113
MET A 130
1.45A20.56
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		4 / 8
THR H 183
VAL H 181
SER H 180
HIS H 164
1.30A19.17
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		3 / 3
VAL A  96
SER A 119
MET A  34
1.17A16.08
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL E 382
LEU E 499
LEU E 355
TYR E 352
VAL E 328
1.25A16.51
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL E 382
LEU E 499
LEU E 355
TYR E 352
VAL E 328
1.23A16.51
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A 157
SER A 113
MET A 130
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
LEU A 265
LEU A 248
GLY A 253
ALA A 255
SER A 258
1.42A19.75
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2mm4 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr)		4 / 8
LEU A  34
THR A  35
LEU A  31
VAL A  52
1.20A9.03
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
VAL A  68
LEU A  67
VAL A  73
GLY A  71
ALA A  70
1.31A19.68
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 8
LEU B  67
LEU B  89
SER B  62
HIS B  80
1.38A21.77
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
VAL A  68
LEU A  67
VAL A  73
GLY A  71
ALA A  70
1.31A19.68
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
LEU A 263
THR A 281
LEU A 265
VAL A 291
1.15A20.25
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		3 / 3
VAL A  13
SER A 113
MET A   6
1.46A20.75
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.28A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.28A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		3 / 3
VAL A 157
SER A 113
MET A 130
1.51A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.33A19.39
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		2qc2 3C-LIKE PROTEINASE
(-)		3 / 3
VAL A 157
SER A 113
MET A 130
1.45A19.39
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.32A19.39
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.29A19.35
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.30A19.35
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2w2g NSP3
(SARSr-CoV)		5 / 12
TYR A 495
VAL A 445
GLY A 446
ALA A 474
LEU A 475
1.24A18.48
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2w2g NSP3
(SARSr-CoV)		5 / 12
TYR A 495
VAL A 445
GLY A 446
ALA A 474
LEU A 475
1.24A18.48
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
LEU A 280
THR A 257
PRO A  62
ARG A 255
1.31A22.11
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
LEU A 280
THR A 257
PRO A  62
ARG A 255
1.29A22.11
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.28A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A 157
SER A 113
MET A 130
1.48A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.28A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
TYR C  32
LEU B 100
TYR C  91
SER C  52
TYR C  71
1.78A20.06
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 444
TYR A 237
LEU A 281
VAL A 244
LEU A 267
1.42A22.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
VAL A 132
SER A 502
MET A 123
1.02A22.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.31A20.67
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.31A20.67
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B  68
LEU B  67
VAL B  73
GLY B  71
ALA B  70
1.38A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B  68
LEU B  67
VAL B  73
GLY B  71
ALA B  70
1.38A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A  68
LEU A  67
VAL A  73
GLY A  71
ALA A  70
1.38A20.75
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A 114
SER A 144
MET A 165
1.32A20.75
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A  68
LEU A  67
VAL A  73
GLY A  71
ALA A  70
1.37A20.75
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
LEU A  89
ARG A  76
LEU A  67
SER A  62
HIS A  64
1.78A21.84
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.32A19.96
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.32A19.96
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.31A20.75
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.31A20.75
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.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		3i6k HLA, A-2
MEMBRANE
GLYCOPROTEIN PEPTIDE
(Homo
sapiens;
SARS-COV
TJF)		5 / 12
TYR A   7
LEU C   1
TYR A  99
HIS A  70
SER A  71
1.71A22.75
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.24A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU A  30
THR A  35
ARG A  88
LEU A  86
1.34A20.38
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.23A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B  68
LEU B  67
VAL B  73
GLY B  71
ALA B  70
1.27A18.96
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B  68
LEU B  67
VAL B  73
GLY B  71
ALA B  70
1.27A18.96
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.32A21.14
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.32A21.14
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A 157
SER A 113
MET A 130
1.46A21.14
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
LEU A 280
THR A 257
PRO A  62
ARG A 255
1.33A20.16
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		3sci ACE2
(Homo
sapiens)		3 / 3
VAL A 132
SER A 502
MET A 123
1.05A21.26
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
VAL B 132
SER B 502
MET B 123
1.00A21.73
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A 157
SER A 113
MET A 130
1.44A19.54
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.30A19.71
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL B 157
SER B 113
MET B 130
1.51A19.71
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B 125
LEU B 115
VAL B  13
GLY B  11
SER A  10
1.30A19.71
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B 125
LEU B 115
VAL B  13
GLY B  11
SER A  10
1.36A20.43
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A 157
SER A 113
MET A 130
1.49A20.43
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B 125
LEU B 115
VAL B  13
GLY B  11
SER A  10
1.36A20.43
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		5dus ORF1A
(MERS-CoV)		4 / 8
LEU A  33
THR A 122
PRO A 123
VAL A 125
1.21A16.04
None
None
APR  A 201 (-4.9A)
APR  A 201 ( 4.5A)
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		5 / 12
LEU F  67
LEU D  76
GLY F  47
ALA F  46
SER D  67
1.38A9.24
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		5 / 12
LEU F  67
LEU D  76
GLY F  47
ALA F  46
SER D  67
1.36A9.24
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		5f22 NSP8
NSP7
(SARSr-CoV)		4 / 8
LEU B 108
LEU B 103
VAL A  17
SER A  15
1.33A13.66
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
THR C 223
LEU C 209
SER C 230
HIS A 229
1.31A21.88
PEG  A 604 ( 4.4A)
PEG  C 604 (-4.5A)
None
ZN  A 601 (-2.9A)
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		5tl6 UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens)		4 / 8
LEU C  82
PRO C  81
ARG C  99
LEU C 137
1.35A10.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5tl6 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens;
SARSr-CoV)		5 / 12
TRP A 123
GLY B 210
ALA B 247
SER B 246
LEU B 212
1.38A10.39
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5tl6 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens;
SARSr-CoV)		5 / 12
TRP A 123
GLY B 210
ALA B 247
SER B 246
LEU B 212
1.34A10.39
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		5x59 S PROTEIN
(MERS-CoV)		3 / 3
VAL A 604
SER A 656
MET A 686
1.14A16.82
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		5x59 S PROTEIN
(MERS-CoV)		4 / 8
LEU B 567
THR B 564
VAL B 561
SER B 498
1.28A16.02
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
VAL A 767
SER A 861
MET A1032
1.24A18.18
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		5zvm SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
LEU A 927
THR A 925
LEU C 927
SER A 919
1.38A10.55
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
LEU A1016
PRO A1035
VAL A 860
SER A 861
1.32A18.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
VAL C 767
SER C 861
MET C1032
0.75A18.31
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.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR A 200
HIS A 181
SER A  95
ASN A  96
PHE A 168
1.76A13.75
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6ack ACE2
(Homo
sapiens)		4 / 8
THR D 414
LEU D 418
SER D 409
HIS D 373
1.37A21.36
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
VAL B 767
SER B 861
MET B1032
1.20A18.06
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
THR A 585
LEU A 286
VAL A 596
SER A 582
1.27A17.99
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
VAL A 767
SER A 861
MET A1032
1.24A18.18
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		6jyt HELICASE
(SARSr-CoV)		3 / 3
VAL B  89
SER B  44
MET B  68
1.41A20.92
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		3 / 3
VAL A 552
SER A 491
MET A 542
1.35A20.37
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
LEU A 281
LEU A 286
VAL A 306
SER A 303
1.33A19.76
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6m1d ACE2
(Homo
sapiens)		4 / 8
THR D 686
ARG D 671
VAL D 691
SER D 692
1.32A21.12
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		6m1d ACE2
SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		3 / 3
VAL B 745
SER A 417
MET A 423
1.43A21.69
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
LEU C1045
THR C 706
LEU C 920
VAL C 708
1.32A17.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6nur NSP7
(SARSr-CoV)		5 / 8
LEU C  59
LEU C  55
VAL C  11
SER C  15
HIS C  36
1.65A9.98
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6nur NSP7
NSP8
(SARSr-CoV)		4 / 8
LEU D 103
LEU D  98
VAL C  12
SER C  10
1.30A16.77
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.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		6nur NSP12
(SARSr-CoV)		5 / 12
LEU A 251
SER A 318
ASN A 314
TYR A 294
PHE A 313
1.74A15.99
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H 170
LEU H 175
VAL H 150
HIS H 200
1.68A14.51
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
THR L 164
LEU L 175
VAL H 181
SER H 179
1.78A16.96
None
None
None
GOL  L 301 (-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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
LEU L 175
THR L 164
LEU L 135
SER H 179
1.77A16.96
None
None
None
GOL  L 301 (-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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
VAL L 133
LEU L 135
GLY H 139
SER H 179
LEU H 141
1.75A15.62
None
None
None
GOL  L 301 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
LEU L 175
THR L 164
PRO H 167
LEU L 135
1.79A16.96
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H 138
THR H 183
LEU H 159
SER H 180
1.80A14.51
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
VAL L 133
LEU L 135
GLY H 139
SER H 179
LEU H 141
1.77A15.62
None
None
None
GOL  L 301 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
VAL L 132
LEU L 179
LEU L 154
VAL L 150
ALA L 193
1.70A15.62
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL L 139
LEU L 141
GLY H 143
SER H 183
LEU H 145
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL L 139
LEU L 141
GLY H 143
SER H 183
LEU H 145
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL C 139
LEU C 141
GLY B 143
SER B 183
LEU B 145
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL C 139
LEU C 141
GLY B 143
SER B 183
LEU B 145
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL L 138
LEU L 185
LEU L 160
VAL L 156
ALA L 199
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL L 139
LEU L 141
GLY H 143
SER H 183
LEU H 145
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL L 138
LEU L 185
LEU L 160
VAL L 156
ALA L 199
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL L 139
LEU L 141
GLY H 143
SER H 183
LEU H 145
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL C 139
LEU C 141
GLY B 143
SER B 183
LEU B 145
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL L 139
LEU L 141
GLY H 143
SER H 183
LEU H 145
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL C 139
LEU C 141
GLY B 143
SER B 183
LEU B 145
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL L 139
LEU L 141
GLY H 143
SER H 183
LEU H 145
1.66A
None