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Related entries of code: 2c57
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2c4vRCSB PDB    PDBbind167aa, >2C4V_1|Chain... at 100%
2c4wRCSB PDB    PDBbind176aa, >2C4W_1|Chain... at 95%
2wksRCSB PDB    PDBbind167aa, >2WKS_1|Chains... at 100%
2xb9RCSB PDB    PDBbind167aa, >2XB9_1|Chains... at 100%
2xd9RCSB PDB    PDBbind167aa, >2XD9_1|Chains... at 100%
2xdaRCSB PDB    PDBbind167aa, >2XDA_1|Chain... at 100%
4b6rRCSB PDB    PDBbind167aa, >4B6R_1|Chains... at 100%
4b6sRCSB PDB    PDBbind167aa, >4B6S_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1gu1RCSB PDB    PDBbindFA1
1h0rRCSB PDB    PDBbindFA1
3n7aRCSB PDB    PDBbindFA1
Entry Information
PDB ID2c57
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3-dehydroquinate dehydratase
Ligand NameFA1
EC.Number E.C.4.2.1.10
Resolution 3.1(Å)
Affinity (Kd/Ki/IC50)Ki=370uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem.v49;pp.1282
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): Q48255  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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