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Related entries of code: 1gu1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1v1jRCSB PDB    PDBbind157aa, >1V1J_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1h0rRCSB PDB    PDBbindFA1
2c57RCSB PDB    PDBbindFA1
3n7aRCSB PDB    PDBbindFA1

Entry Information
PDB ID1gu1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3-dehydroquinate dehydratase
Ligand NameFA1
EC.Number E.C.4.2.1.10
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=30uM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary Reference Structure v10 pp. 493-503, 2002
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 -0.64      (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: 3
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): P15474  
Entrez Gene IDNCBI Entrez Gene ID: 1097395  
ASDInformation of known allosteric effects of PDB entries

 
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