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: 2aa9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1g6sRCSB PDB    PDBbind427aa, >1G6S:A|PDBID|CHAIN|... *
1x8rRCSB PDB    PDBbind427aa, >1X8R:A|PDBID|CHAIN|... at 100%
1x8tRCSB PDB    PDBbind427aa, >1X8T:A|PDBID|CHAIN|... at 100%
2aayRCSB PDB    PDBbind427aa, >2AAY:A|PDBID|CHAIN|... at 100%
2pq9RCSB PDB    PDBbind427aa, >2PQ9:A|PDBID|CHAIN|... at 100%
2qftRCSB PDB    PDBbind427aa, >2QFT:A|PDBID|CHAIN|... at 99%
2qfuRCSB PDB    PDBbind427aa, >2QFU:A|PDBID|CHAIN|... at 99%
3fjzRCSB PDB    PDBbind427aa, >3FJZ:A|PDBID|CHAIN|... at 99%
3fk1RCSB PDB    PDBbind427aa, >3FK1:A|PDBID|CHAIN|... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2aayRCSB PDB    PDBbindSKM
4gujRCSB PDB    PDBbindSKM
4y0aRCSB PDB    PDBbindSKM

Entry Information
PDB ID2aa9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3-phosphoshikimate 1-carboxyvinyltransferase
Ligand NameSKM
EC.Number E.C.
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)IC50=1.2mM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Febs Lett. v579 pp. 5773-80, 2005
Ligand Properties
Formula C7H10O5
Molecular Weight 174.151
Exact Mass 174.053
No. of atoms 22
No. of bonds 22
Polar Surface Area 97.99
LOGP Value -0.84      (Computed with XLOGP3)
-1.52      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): P0A6D3  
Entrez Gene IDNCBI Entrez Gene ID: 945528  
ASDInformation of known allosteric effects of PDB entries

This site has been visited times since Nov 2007.

Address: 826 Zhangheng Road, Shanghai 201203, People's Republic of China      ICP NO: Shanghai-05005485-2
Group Leader:      Tel: +86-21-54925128      Webmaster:
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China