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: 1a4g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a4qRCSB PDB    PDBbind390aa, >1A4Q_1|Chains... at 93%
1b9sRCSB PDB    PDBbind390aa, >1B9S_1|Chain... at 91%
1b9tRCSB PDB    PDBbind390aa, >1B9T_1|Chain... at 91%
1b9vRCSB PDB    PDBbind390aa, >1B9V_1|Chain... at 91%
1infRCSB PDB    PDBbind390aa, >1INF_1|Chain... at 91%
1vcjRCSB PDB    PDBbind389aa, >1VCJ_1|Chain... at 91%
3k37RCSB PDB    PDBbind397aa, >3K37_1|Chains... at 96%
3k39RCSB PDB    PDBbind397aa, >3K39_1|Chains... at 96%
3k3aRCSB PDB    PDBbind397aa, >3K3A_1|Chains... at 96%
4cpyRCSB PDB    PDBbind466aa, >4CPY_1|Chains... *
4cpzRCSB PDB    PDBbind466aa, >4CPZ_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2f0zRCSB PDB    PDBbindZMR
2ya7RCSB PDB    PDBbindZMR
3ckzRCSB PDB    PDBbindZMR
3ti5RCSB PDB    PDBbindZMR
3ticRCSB PDB    PDBbindZMR
4b7nRCSB PDB    PDBbindZMR
4b7qRCSB PDB    PDBbindZMR
4cpzRCSB PDB    PDBbindZMR
4mwrRCSB PDB    PDBbindZMR
4mwxRCSB PDB    PDBbindZMR
5l17RCSB PDB    PDBbindZMR
6ekuRCSB PDB    PDBbindZMR
Entry Information
PDB ID1a4g
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameneuraminidase
Ligand NameZMR
EC.Number E.C.3.2.1.18
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=0.004uM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. v41 pp. 798-807, 1998
Ligand Properties
Formula C12H21N4O7
Molecular Weight 333.318
Exact Mass 333.141
No. of atoms 44
No. of bonds 44
Polar Surface Area 202.33
LOGP Value -0.20      (Computed with XLOGP3)
-3.91      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 11
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): P27907  
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