Browse entries in the PDBbind-CN Database

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: 4qem
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%
4qerRCSB PDB    PDBbind121aa, >4QER_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
4f8jRCSB PDB    PDBbindHC4
5vfmRCSB PDB    PDBbindHC4
5x13RCSB PDB    PDBbindHC4
Entry Information
PDB ID4qem
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePhospholipase A2 VRV-PL-VIIIa
Ligand NameHC4
EC.Number E.C.3.1.1.4
Resolution 1.2(Å)
Affinity (Kd/Ki/IC50)Kd=16nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Biochim.Biophys.Acta Vol. 1854: pp. 269-277
Ligand Properties
Formula C9H8O3
Molecular Weight 164.158
Exact Mass 164.047
No. of atoms 20
No. of bonds 20
Polar Surface Area 57.53
LOGP Value 2.82      (Computed with XLOGP3)
1.49      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
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
 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com