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Related entries of code: 3gdt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1dqxRCSB PDB    PDBbind267aa, >1DQX_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1km3RCSB PDB    PDBbindUP6
1losRCSB PDB    PDBbindUP6

Entry Information
PDB ID3gdt
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameorotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae (D91N)
Ligand NameUP6
EC.Number E.C.4.1.1.23
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Ki=64nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2006) J. Med. Chem., Vol.49, pp.4937-4945
Ligand Properties
Formula C8H13N3O9P
Molecular Weight 326.177
Exact Mass 326.039
No. of atoms 34
No. of bonds 35
Polar Surface Area 200.95
LOGP Value -4.05      (Computed with XLOGP3)
-3.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 2
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): P03962  
Entrez Gene IDNCBI Entrez Gene ID: 856692  
ASDInformation of known allosteric effects of PDB entries

 
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