Browse entries in the PDBbind-CN Database

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Related entries of code: 5i9i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5i8pRCSB PDB    PDBbind388aa, >5I8P_1|Chains... *
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%
5jauRCSB PDB    PDBbind388aa, >5JAU_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 ID5i9i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLipoprotein-associated phospholipase A2 (Lp-PLA2)
Ligand Name5HV
EC.Number E.C.3.1.1.47
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)Kd=49.7nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 5115-5120
Ligand Properties
Formula C36H38F4N4O2S
Molecular Weight 666.771
Exact Mass 666.265
No. of atoms 85
No. of bonds 89
Polar Surface Area 91.84
LOGP Value 7.05      (Computed with XLOGP3)
5.02      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
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
 
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