Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T19160 Target Info
Target Name Group IIA phospholipase A2 (GIIA sPLA2)
Synonyms RASF-A; Phospholipase A2, membrane associated; Phosphatidylcholine 2-acylhydrolase 2A; PLA2L; PLA2B; Non-pancreatic secretory phospholipase A2; NPS-PLA2; GIIC sPLA2
Target Type Clinical trial Target
Gene Name PLA2G2A
Biochemical Class Carboxylic ester hydrolase
UniProt ID
PA2GA_HUMAN
Ligand General Information  Top
Ligand Name KH064 Ligand Info
Canonical SMILES C1=CC=C(C=C1)CCCCCCC(=O)NC(CCC(=O)O)CC2=CC=C(C=C2)OCC3=CC=CC=C3
InChI 1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1
InChIKey KWLUIYFCMHKLKY-NDEPHWFRSA-N
PubChem Compound ID 446400
Drug Binding Sites of Target  Top
PDB ID: 1J1A      PANCREATIC SECRETORY PHOSPHOLIPASE A2 (IIa) WITH ANTI-INFLAMMATORY ACTIVITY
Method X-ray diffraction Resolution 2.20 Å Mutation No [1]
PDB Sequence
NLVNFHRMIK
10
LTTGKEAALS
20
YGFYGCHCGV
30
GGRGSPKDAT
40
DRCCVTHDCC
50

YKRLEKRGCG
60
TKFLSYKFSN
70
SGSRITCAKQ
80
DSCRSQLCEC
90
DKAAATCFAR
100

NKTTYNKKYQ
110
YYSNKHCRGS
120
TPRC
Residue
Distance (Å)
LEU2
3.412
PHE5
3.303
HIS6
3.571
ILE9
3.978
ALA17
3.662
ALA18
3.823
TYR21
4.095
GLY22
3.860
PHE23
4.460
HIS27
3.442
Residue
Distance (Å)
CYS28
3.799
GLY29
2.916
VAL30
3.741
GLY31
3.209
CYS44
3.657
HIS47
2.922
ASP48
3.074
TYR51
3.415
LYS62
3.675
PHE98
4.344
PDB ID: 3U8H      Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism
Method X-ray diffraction Resolution 2.30 Å Mutation No [2]
PDB Sequence
NLVNFHRMIK
10
LTTGKEAALS
20
YGFYGCHCGV
30
GGRGSPKDAT
40
DRCCVTHDCC
50

YKRLEKRGCG
60
TKFLSYKFSN
70
SGSRITCAKQ
80
DSCRSQLCEC
90
DKAAATCFAR
100

NKTTYNKKYQ
110
YYSNKHCRGS
120
TPRC
Residue
Distance (Å)
LEU2
3.498
PHE5
3.717
HIS6
3.697
ILE9
3.724
ALA17
3.470
ALA18
3.903
TYR21
3.590
GLY22
3.304
PHE23
4.622
HIS27
3.284
CYS28
3.710
Residue
Distance (Å)
GLY29
2.787
VAL30
3.144
GLY31
2.839
GLY32
4.883
CYS44
3.719
HIS47
2.813
ASP48
2.976
TYR51
3.550
LYS62
3.786
PHE98
4.508
References  Top
REF 1 D-Tyrosine as a chiral precusor to potent inhibitors of human nonpancreatic secretory phospholipase A2 (IIa) with antiinflammatory activity. Chembiochem. 2003 Mar 3;4(2-3):181-5.
REF 2 Selective inhibition of human group IIA-secreted phospholipase A2 (hGIIA) signaling reveals arachidonic acid metabolism is associated with colocalization of hGIIA to vimentin in rheumatoid synoviocytes. J Biol Chem. 2013 May 24;288(21):15269-79.

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