Browse entries in the PDBbind-CN Database

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Related entries of code: 4qer
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1fv0RCSB PDB    PDBbind121aa, >1FV0_1|Chains... *
1jq8RCSB PDB    PDBbind121aa, >1JQ8_1|Chains... at 100%
1jq9RCSB PDB    PDBbind121aa, >1JQ9_1|Chains... at 100%
1kpmRCSB PDB    PDBbind121aa, >1KPM_1|Chains... at 100%
1q7aRCSB PDB    PDBbind121aa, >1Q7A_1|Chain... at 100%
1sv3RCSB PDB    PDBbind121aa, >1SV3_1|Chain... at 100%
2armRCSB PDB    PDBbind121aa, >2ARM_1|Chain... at 100%
2b17RCSB PDB    PDBbind121aa, >2B17_1|Chain... at 100%
3h1xRCSB PDB    PDBbind121aa, >3H1X_1|Chain... at 100%
4qemRCSB PDB    PDBbind121aa, >4QEM_1|Chain... at 100%
4qf7RCSB PDB    PDBbind121aa, >4QF7_1|Chain... at 100%
4qf8RCSB PDB    PDBbind121aa, >4QF8_1|Chain... at 100%
4qgdRCSB PDB    PDBbind121aa, >4QGD_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2l98RCSB PDB    PDBbindSTL
3ftsRCSB PDB    PDBbindSTL
4jazRCSB PDB    PDBbindSTL
4q93RCSB PDB    PDBbindSTL
Entry Information
PDB ID4qer
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePhospholipase A2 VRV-PL-VIIIa
Ligand NameSTL
EC.Number E.C.3.1.1.4
Resolution 1.2(Å)
Affinity (Kd/Ki/IC50)Kd=29nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Biochim.Biophys.Acta Vol. 1854: pp. 269-277
Ligand Properties
Formula C14H12O3
Molecular Weight 228.243
Exact Mass 228.079
No. of atoms 29
No. of bonds 30
Polar Surface Area 60.69
LOGP Value 3.13      (Computed with XLOGP3)
2.97      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
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): P59071  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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