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: 1hii
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hshRCSB PDB    PDBbind99aa, >1HSH:D|PDBID|CHAIN|... at 100%
1idaRCSB PDB    PDBbind99aa, >1IDA:B|PDBID|CHAIN|... at 100%
1idbRCSB PDB    PDBbind99aa, >1IDB:B|PDBID|CHAIN|... at 100%
1ivpRCSB PDB    PDBbind99aa, >1IVP:B|PDBID|CHAIN|... at 98%
1jldRCSB PDB    PDBbind99aa, >1JLD:B|PDBID|CHAIN|... at 100%
2mipRCSB PDB    PDBbind99aa, >2MIP:D|PDBID|CHAIN|... at 100%
3s45RCSB PDB    PDBbind99aa, >3S45:B|PDBID|CHAIN|... at 100%
5upjRCSB PDB    PDBbind99aa, >5UPJ:B|PDBID|CHAIN|... at 98%
6upjRCSB PDB    PDBbind99aa, >6UPJ:B|PDBID|CHAIN|... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1hihRCSB PDB    PDBbindC20

Entry Information
PDB ID1hii
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHIV-2 protease
Ligand NameC20
EC.Number E.C.3.4.23.16
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=53nM
Release Year1995
Protein/NA SequenceCheck fasta file
Primary ReferenceStructure v3 pp. 381-9, 1995
Ligand Properties
Formula C31H52N5O5
Molecular Weight 574.775
Exact Mass 574.397
No. of atoms 93
No. of bonds 94
Polar Surface Area 141.07
LOGP Value 4.28      (Computed with XLOGP3)
2.46      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 10
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): P04584  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
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