Browse entries in the PDBbind-CN Database

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Related entries of code: 1w6h
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%
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%
4ya8RCSB PDB    PDBbind329aa, >4YA8_1|Chains... at 100%
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 ID1w6h
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePlasmodium falciparum Plasmepsin II
Ligand NameTIT
EC.Number E.C.3.4.23.39
Resolution 2.24(Å)
Affinity (Kd/Ki/IC50)Ki=0.5nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J. Med. Chem., Vol.53, pp.4234-4247
Ligand Properties
Formula C32H45BrN6O7
Molecular Weight 705.640
Exact Mass 704.253
No. of atoms 91
No. of bonds 92
Polar Surface Area 201.84
LOGP Value 2.32      (Computed with XLOGP3)
3.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 13
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): P46925  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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