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: 1hms
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hmrRCSB PDB    PDBbind132aa, >1HMR:A|PDBID|CHAIN|... at 100%
1hmtRCSB PDB    PDBbind132aa, >1HMT:A|PDBID|CHAIN|... at 100%
2hmbRCSB PDB    PDBbind132aa, >2HMB:A|PDBID|CHAIN|... at 100%
3wvmRCSB PDB    PDBbind133aa, >3WVM:A|PDBID|CHAIN|... at 100%
4tjzRCSB PDB    PDBbind133aa, >4TJZ:A|PDBID|CHAIN|... at 100%
4tkbRCSB PDB    PDBbind133aa, >4TKB:A|PDBID|CHAIN|... at 100%
4tkhRCSB PDB    PDBbind133aa, >4TKH:A|PDBID|CHAIN|... at 100%
4tkjRCSB PDB    PDBbind133aa, >4TKJ:A|PDBID|CHAIN|... at 100%
5hz9RCSB PDB    PDBbind135aa, >5HZ9:H|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1fe3RCSB PDB    PDBbindOLA
1g74RCSB PDB    PDBbindOLA
1gniRCSB PDB    PDBbindOLA
1lfoRCSB PDB    PDBbindOLA
1vyfRCSB PDB    PDBbindOLA
2lkkRCSB PDB    PDBbindOLA
3pguRCSB PDB    PDBbindOLA

Entry Information
PDB ID1hms
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namefatty acid-binding protein
Ligand NameOLA
EC.Number E.C.-.-.-.-
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=0.43uM
Release Year1995
Protein/NA SequenceCheck fasta file
Primary ReferenceStructure v2 pp. 523-34, 1994
Ligand Properties
Formula C18H34O2
Molecular Weight 282.461
Exact Mass 282.256
No. of atoms 54
No. of bonds 53
Polar Surface Area 37.3
LOGP Value 8.15      (Computed with XLOGP3)
6.11      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
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): P05413  
Entrez Gene IDNCBI Entrez Gene ID: 2170  
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