Browse entries in the PDBbind-CN Database

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: 4zga
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3wavRCSB PDB    PDBbind831aa, >3WAV_1|Chain... at 99%
3wawRCSB PDB    PDBbind831aa, >3WAW_1|Chain... at 99%
3waxRCSB PDB    PDBbind831aa, >3WAX_1|Chain... at 99%
3wayRCSB PDB    PDBbind831aa, >3WAY_1|Chain... at 99%
4zg6RCSB PDB    PDBbind855aa, >4ZG6_1|Chains... at 92%
4zg7RCSB PDB    PDBbind806aa, >4ZG7_1|Chain... at 95%
4zg9RCSB PDB    PDBbind863aa, >4ZG9_1|Chains... at 91%
5dlvRCSB PDB    PDBbind827aa, >5DLV_1|Chains... at 97%
5inhRCSB PDB    PDBbind879aa, >5INH_1|Chain... *
5lqqRCSB PDB    PDBbind827aa, >5LQQ_1|Chain... at 97%
5m0dRCSB PDB    PDBbind827aa, >5M0D_1|Chain... at 97%
5m0mRCSB PDB    PDBbind827aa, >5M0M_1|Chain... at 97%
5m0sRCSB PDB    PDBbind827aa, >5M0S_1|Chain... at 97%
5m7mRCSB PDB    PDBbind871aa, >5M7M_1|Chain... at 90%
5mhpRCSB PDB    PDBbind871aa, >5MHP_1|Chain... at 90%
5ohiRCSB PDB    PDBbind829aa, >5OHI_1|Chain... at 100%
5olbRCSB PDB    PDBbind844aa, >5OLB_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4zga
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman autotaxin
Ligand Name4O3
EC.Number E.C.3.1.4.39
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=0.02uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Mol.Pharmacol. Vol. 88: pp. 982-992
Ligand Properties
Formula C20H16FN3O2
Molecular Weight 349.358
Exact Mass 349.123
No. of atoms 42
No. of bonds 46
Polar Surface Area 54.34
LOGP Value 2.51      (Computed with XLOGP3)
3.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 5
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): Q13822  
Entrez Gene IDNCBI Entrez Gene ID: 5168  
ASDInformation of known allosteric effects of PDB entries
 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com