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: 5jau
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5i8pRCSB PDB    PDBbind388aa, >5I8P_1|Chains... *
5i9iRCSB PDB    PDBbind388aa, >5I9I_1|Chains... at 100%
5jahRCSB PDB    PDBbind388aa, >5JAH_1|Chain... at 98%
5jalRCSB PDB    PDBbind388aa, >5JAL_1|Chain... at 98%
5janRCSB PDB    PDBbind388aa, >5JAN_1|Chain... at 98%
5jaoRCSB PDB    PDBbind388aa, >5JAO_1|Chain... at 98%
5japRCSB PDB    PDBbind388aa, >5JAP_1|Chain... at 98%
5jarRCSB PDB    PDBbind388aa, >5JAR_1|Chain... at 98%
5jasRCSB PDB    PDBbind388aa, >5JAS_1|Chain... at 98%
5jatRCSB PDB    PDBbind388aa, >5JAT_1|Chain... at 98%
5lp1RCSB PDB    PDBbind388aa, >5LP1_1|Chain... at 98%
5lyyRCSB PDB    PDBbind388aa, >5LYY_1|Chain... at 98%
5lz2RCSB PDB    PDBbind388aa, >5LZ2_1|Chain... at 98%
5lz4RCSB PDB    PDBbind388aa, >5LZ4_1|Chain... at 98%
5lz5RCSB PDB    PDBbind388aa, >5LZ5_1|Chain... at 98%
5lz7RCSB PDB    PDBbind388aa, >5LZ7_1|Chain... at 98%
5lz8RCSB PDB    PDBbind388aa, >5LZ8_1|Chain... at 98%
5lz9RCSB PDB    PDBbind388aa, >5LZ9_1|Chain... at 98%
5ye7RCSB PDB    PDBbind388aa, >5YE7_1|Chains... at 100%
5ye8RCSB PDB    PDBbind388aa, >5YE8_1|Chains... at 100%
5ye9RCSB PDB    PDBbind388aa, >5YE9_1|Chains... at 100%
5yeaRCSB PDB    PDBbind388aa, >5YEA_1|Chains... 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 ID5jau
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)
Ligand Name6HU
EC.Number E.C.3.1.1.47
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)IC50=0.0014uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 5356-5367
Ligand Properties
Formula C23H31N4O3
Molecular Weight 411.517
Exact Mass 411.240
No. of atoms 61
No. of bonds 63
Polar Surface Area 96.18
LOGP Value 2.66      (Computed with XLOGP3)
2.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 7
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): Q13093  
Entrez Gene IDNCBI Entrez Gene ID: 7941  
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