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: 3u4h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2pgjRCSB PDB    PDBbind262aa, >2PGJ_1|Chains... *
2pglRCSB PDB    PDBbind262aa, >2PGL_1|Chains... at 99%
3u4iRCSB PDB    PDBbind262aa, >3U4I_1|Chains... at 100%
4tmfRCSB PDB    PDBbind257aa, >4TMF_1|Chains... at 99%
4xjsRCSB PDB    PDBbind262aa, >4XJS_1|Chain... at 96%
4xjtRCSB PDB    PDBbind262aa, >4XJT_1|Chain... at 96%
6edrRCSB PDB    PDBbind257aa, >6EDR_1|Chains... 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 ID3u4h
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameADP-ribosyl cyclase 1
Ligand NameC8R
EC.Number E.C.3.2.2.5
Resolution 1.88(Å)
Affinity (Kd/Ki/IC50)IC50=56uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Plos One Vol. 8: pp. e66247-e66247
Ligand Properties
Formula C15H24N5O14P2
Molecular Weight 560.324
Exact Mass 560.079
No. of atoms 60
No. of bonds 64
Polar Surface Area 317.06
LOGP Value -6.15      (Computed with XLOGP3)
-2.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 19
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): P28907  
Entrez Gene IDNCBI Entrez Gene ID: 952  
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