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: 3fw4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1l6mRCSB PDB    PDBbind180aa, >1L6M_1|Chains... at 98%
3tf6RCSB PDB    PDBbind179aa, >3TF6_1|Chains... at 99%
3u0dRCSB PDB    PDBbind198aa, >3U0D_1|Chains... *
4k19RCSB PDB    PDBbind180aa, >4K19_1|Chains... at 98%
6qmuRCSB PDB    PDBbind188aa, >6QMU_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4k7iRCSB PDB    PDBbindCAQ
4oowRCSB PDB    PDBbindCAQ
5kbiRCSB PDB    PDBbindCAQ
5swgRCSB PDB    PDBbindCAQ

Entry Information
PDB ID3fw4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameScn-Ngal (neutrophil gelatinase associated lipocalin, siderocalin, lipocalin 2)
Ligand NameCAQ
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=0.4nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Nat.Chem.Biol. Vol. 6: pp. 602-609
Ligand Properties
Formula C6H6O2
Molecular Weight 110.111
Exact Mass 110.037
No. of atoms 14
No. of bonds 14
Polar Surface Area 40.46
LOGP Value 1.21      (Computed with XLOGP3)
1.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
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): P80188  
Entrez Gene IDNCBI Entrez Gene ID: 3934  
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: