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: 3c52
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3c56RCSB PDB    PDBbind307aa, >3C56_1|Chains... at 100%
3n9rRCSB PDB    PDBbind307aa, >3N9R_1|Chains... at 100%
3n9sRCSB PDB    PDBbind307aa, >3N9S_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1b57RCSB PDB    PDBbindPGH
1ik4RCSB PDB    PDBbindPGH
1tpwRCSB PDB    PDBbindPGH
1trdRCSB PDB    PDBbindPGH
2isvRCSB PDB    PDBbindPGH
2iswRCSB PDB    PDBbindPGH
2vxnRCSB PDB    PDBbindPGH
3taoRCSB PDB    PDBbindPGH
4delRCSB PDB    PDBbindPGH
Entry Information
PDB ID3c52
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameH. pylori Class II Fba
Ligand NamePGH
EC.Number E.C.4.1.2.13
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=0.05uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Chemistry Vol. 14: pp. 8521-8529
Ligand Properties
Formula C2H7NO6P
Molecular Weight 172.054
Exact Mass 172.001
No. of atoms 17
No. of bonds 16
Polar Surface Area 132.84
LOGP Value -2.86      (Computed with XLOGP3)
-1.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 0
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): P56109  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
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