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: 4nah
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4natRCSB PDB    PDBbind160aa, >4NAT_1|Chains... at 100%
4nauRCSB PDB    PDBbind160aa, >4NAU_1|Chains... 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 ID4nah
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePhosphopantetheine adenylyltransferase
Ligand Name2VJ
EC.Number E.C.2.7.7.3
Resolution 2.38(Å)
Affinity (Kd/Ki/IC50)IC50=490nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Antimicrob.Agents Chemother. Vol. 57: pp. 6005-6015
Ligand Properties
Formula C24H25Cl2N5O3S
Molecular Weight 534.458
Exact Mass 533.106
No. of atoms 60
No. of bonds 63
Polar Surface Area 146.16
LOGP Value 6.25      (Computed with XLOGP3)
5.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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): P63820  
Entrez Gene IDNCBI Entrez Gene ID: 58066981  
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