Browse entries in the PDBbind-CN Database

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Related entries of code: 4ya8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1leeRCSB PDB    PDBbind331aa, >1LEE_1|Chain... *
1lf2RCSB PDB    PDBbind331aa, >1LF2_1|Chain... at 100%
1lf3RCSB PDB    PDBbind331aa, >1LF3_1|Chain... at 99%
1smeRCSB PDB    PDBbind329aa, >1SME_1|Chains... at 99%
1w6hRCSB PDB    PDBbind331aa, >1W6H_1|Chains... at 99%
2igxRCSB PDB    PDBbind329aa, >2IGX_1|Chain... at 99%
2igyRCSB PDB    PDBbind329aa, >2IGY_1|Chains... at 99%
2r9bRCSB PDB    PDBbind329aa, >2R9B_1|Chains... at 99%
4ckuRCSB PDB    PDBbind329aa, >4CKU_1|Chains... at 100%
4y6mRCSB PDB    PDBbind329aa, >4Y6M_1|Chains... at 99%
4z22RCSB PDB    PDBbind329aa, >4Z22_1|Chains... at 100%
5yiaRCSB PDB    PDBbind328aa, >5YIA_1|Chain... at 99%
5yibRCSB PDB    PDBbind328aa, >5YIB_1|Chain... at 99%
5yicRCSB PDB    PDBbind328aa, >5YIC_1|Chain... at 99%
5yidRCSB PDB    PDBbind327aa, >5YID_1|Chain... at 99%
5yieRCSB PDB    PDBbind327aa, >5YIE_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4ya8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameplasmepsin II from Plasmodium falciparum
Ligand Name49W
EC.Number E.C.3.4.23.39
Resolution 3.3(Å)
Affinity (Kd/Ki/IC50)IC50=0.8uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acta Crystallogr.,Sect.F Vol. 71: pp. 1531-1539
Ligand Properties
Formula C37H48N5O3
Molecular Weight 610.809
Exact Mass 610.376
No. of atoms 93
No. of bonds 96
Polar Surface Area 102.38
LOGP Value 5.39      (Computed with XLOGP3)
4.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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): P46925  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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