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: 3pck
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ykpRCSB PDB    PDBbind200aa, >1YKP_1|Chains... *
3pcbRCSB PDB    PDBbind200aa, >3PCB_1|Chains... at 100%
3pccRCSB PDB    PDBbind200aa, >3PCC_1|Chains... at 100%
3pceRCSB PDB    PDBbind200aa, >3PCE_1|Chains... at 100%
3pcfRCSB PDB    PDBbind200aa, >3PCF_1|Chains... at 100%
3pcgRCSB PDB    PDBbind200aa, >3PCG_1|Chains... at 100%
3pchRCSB PDB    PDBbind200aa, >3PCH_1|Chains... at 100%
3pcjRCSB PDB    PDBbind200aa, >3PCJ_1|Chains... at 100%
3pcnRCSB PDB    PDBbind200aa, >3PCN_1|Chains... at 100%
4whqRCSB PDB    PDBbind200aa, >4WHQ_1|Chains... at 100%
4whrRCSB PDB    PDBbind200aa, >4WHR_1|Chains... at 100%
4whsRCSB PDB    PDBbind200aa, >4WHS_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 ID3pck
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameprotocatechuate 3,4-dioxygenase
Ligand NameNNO
EC.Number E.C.1.13.11.3
Resolution 2.13(Å)
Affinity (Kd/Ki/IC50)Kd=0.2uM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v36 pp. 10052-66, 1997
Ligand Properties
Formula C6H5NO4
Molecular Weight 155.108
Exact Mass 155.022
No. of atoms 16
No. of bonds 16
Polar Surface Area 79.53
LOGP Value 0.06      (Computed with XLOGP3)
-0.22      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
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): P00436  P00437  
Entrez Gene IDNCBI Entrez Gene ID: 45522229  
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