Browse entries in the PDBbind-CN Database

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Related entries of code: 4ocq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ockRCSB PDB    PDBbind379aa, >4OCK_1|Chain... *
4ocpRCSB PDB    PDBbind379aa, >4OCP_1|Chain... at 100%
4ocvRCSB PDB    PDBbind379aa, >4OCV_1|Chain... at 91%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ax0RCSB PDB    PDBbindA2G
3n35RCSB PDB    PDBbindA2G
4xtmRCSB PDB    PDBbindA2G
5xg5RCSB PDB    PDBbindA2G

Entry Information
PDB ID4ocq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameN-acetylhexosamine 1-phosphate kinase NahK
Ligand NameA2G
EC.Number E.C.2.7.1.162
Resolution 1.88(Å)
Affinity (Kd/Ki/IC50)Kd=24.7uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Acta Crystallogr.,Sect.D Vol. 70: pp. 1401-1410
Ligand Properties
Formula C8H15NO6
Molecular Weight 221.208
Exact Mass 221.090
No. of atoms 30
No. of bonds 30
Polar Surface Area 119.25
LOGP Value -2.59      (Computed with XLOGP3)
-2.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
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): E8MF12  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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