Display Options: Structure:  

Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 1q7a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1fv0RCSB PDB    PDBbind121aa, >1FV0:B|PDBID|CHAIN|... at 100%
1jq8RCSB PDB    PDBbind121aa, >1JQ8:B|PDBID|CHAIN|... at 100%
1jq9RCSB PDB    PDBbind121aa, >1JQ9:B|PDBID|CHAIN|... at 100%
1kpmRCSB PDB    PDBbind121aa, >1KPM:B|PDBID|CHAIN|... at 100%
1sv3RCSB PDB    PDBbind121aa, >1SV3:A|PDBID|CHAIN|... at 100%
2armRCSB PDB    PDBbind121aa, >2ARM:A|PDBID|CHAIN|... at 100%
2b17RCSB PDB    PDBbind121aa, >2B17:A|PDBID|CHAIN|... at 100%
3h1xRCSB PDB    PDBbind121aa, >3H1X:A|PDBID|CHAIN|... at 100%
4qemRCSB PDB    PDBbind121aa, >4QEM:A|PDBID|CHAIN|... at 100%
4qerRCSB PDB    PDBbind121aa, >4QER:A|PDBID|CHAIN|... at 100%
4qf7RCSB PDB    PDBbind121aa, >4QF7:A|PDBID|CHAIN|... at 100%
4qf8RCSB PDB    PDBbind121aa, >4QF8:A|PDBID|CHAIN|... at 100%
4qgdRCSB PDB    PDBbind121aa, >4QGD:A|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1q7a
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namephospholipase a2
Ligand NameOPB
EC.Number E.C.
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=64nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary ReferenceBiochemistry v43 pp. 14577-83, 2004
Ligand Properties
Formula C19H20N2O3
Molecular Weight 324.374
Exact Mass 324.147
No. of atoms 44
No. of bonds 46
Polar Surface Area 60.85
LOGP Value 4.09      (Computed with XLOGP3)
3.62      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): D0VX11  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

This site has been visited times since Nov 2007.

Address: 826 Zhangheng Road, Shanghai 201203, People's Republic of China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@fudan.edu.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China