Browse entries in the PDBbind-CN Database

Display Options: Structure:  



3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           

Related entries of code: 2hh5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ms6RCSB PDB    PDBbind222aa, >1MS6:A|PDBID|CHAIN|... at 99%
1npzRCSB PDB    PDBbind217aa, >1NPZ:B|PDBID|CHAIN|... at 99%
1nqcRCSB PDB    PDBbind217aa, >1NQC:A|PDBID|CHAIN|... at 99%
2f1gRCSB PDB    PDBbind220aa, >2F1G:B|PDBID|CHAIN|... at 100%
2hhnRCSB PDB    PDBbind220aa, >2HHN:B|PDBID|CHAIN|... at 100%
2op3RCSB PDB    PDBbind220aa, >2OP3:B|PDBID|CHAIN|... at 100%
2r9mRCSB PDB    PDBbind222aa, >2R9M:B|PDBID|CHAIN|... at 99%
3iejRCSB PDB    PDBbind222aa, >3IEJ:B|PDBID|CHAIN|... at 97%
3n3gRCSB PDB    PDBbind217aa, >3N3G:B|PDBID|CHAIN|... at 100%
3n4cRCSB PDB    PDBbind217aa, >3N4C:B|PDBID|CHAIN|... at 100%
3ovxRCSB PDB    PDBbind218aa, >3OVX:B|PDBID|CHAIN|... at 100%
4p6eRCSB PDB    PDBbind230aa, >4P6E:B|PDBID|CHAIN|... at 100%
4p6gRCSB PDB    PDBbind226aa, >4P6G:D|PDBID|CHAIN|... at 99%
5qbvRCSB PDB    PDBbind223aa, >5QBV:B|PDBID|CHAIN|... at 97%
5qbyRCSB PDB    PDBbind223aa, >5QBY:B|PDBID|CHAIN|... at 97%
5qc4RCSB PDB    PDBbind223aa, >5QC4:B|PDBID|CHAIN|... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2hhnRCSB PDB    PDBbindGNQ

Entry Information
PDB ID2hh5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecathepsin s
Ligand NameGNQ
EC.Number E.C.3.4.22.27
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=0.032uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem.Lett. v16 pp. 5112-7, 2006
Ligand Properties
Formula C25H31F3N4O6S
Molecular Weight 572.597
Exact Mass 572.192
No. of atoms 70
No. of bonds 72
Polar Surface Area 134.45
LOGP Value 2.72      (Computed with XLOGP3)
4.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 10
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): P25774  
Entrez Gene IDNCBI Entrez Gene ID: 1520  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Address: 826 Zhangheng Road, Shanghai 201203, People's Republic of China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@fudan.edu.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China