Browse entries in the PDBbind-CN Database

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Related entries of code: 3pce
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%
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%
3pckRCSB PDB    PDBbind200aa, >3PCK_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 ID3pce
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameprotocatechuate 3,4-dioxygenase
Ligand Name3HP
EC.Number E.C.1.13.11.3
Resolution 2.06(Å)
Affinity (Kd/Ki/IC50)Ki=10mM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v36 pp. 10039-51, 1997
Ligand Properties
Formula C8H8O3
Molecular Weight 152.147
Exact Mass 152.047
No. of atoms 19
No. of bonds 19
Polar Surface Area 57.53
LOGP Value 2.47      (Computed with XLOGP3)
1.02      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
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
 
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