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: 3abt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2jbuRCSB PDB    PDBbind12aa, >2JBU_2|Chains... at 100%
3abuRCSB PDB    PDBbind662aa, >3ABU_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3abt
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman LSD1, Lysine-specific histone demethylase 1
Ligand Name2PF
EC.Number E.C.-.-.-.-
Resolution 3.2(Å)
Affinity (Kd/Ki/IC50)Ki=17uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Biochemistry Vol. 49: pp. 6494-6503
Ligand Properties
Formula C36H42F5N9O16P2
Molecular Weight 1013.710
Exact Mass 1013.210
No. of atoms 110
No. of bonds 117
Polar Surface Area 401.43
LOGP Value -3.22      (Computed with XLOGP3)
-0.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 8
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): O60341  
Entrez Gene IDNCBI Entrez Gene ID: 23028  
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: