Browse entries in the PDBbind-CN Database

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Related entries of code: 2xb9
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%
2c57RCSB PDB    PDBbind180aa, >2C57_1|Chains... *
2wksRCSB PDB    PDBbind167aa, >2WKS_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
2xb8RCSB PDB    PDBbindXNW

Entry Information
PDB ID2xb9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nametype II dehydroquinase (DHQ2) from Helicobacter pylori
Ligand NameXNW
EC.Number E.C.4.2.1.10
Resolution 2.75(Å)
Affinity (Kd/Ki/IC50)Ki=0.17uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Chemmedchem Vol. 5: pp. 1726-1733
Ligand Properties
Formula C15H18O7
Molecular Weight 310.299
Exact Mass 310.105
No. of atoms 40
No. of bonds 41
Polar Surface Area 124.29
LOGP Value 0.48      (Computed with XLOGP3)
-0.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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): Q48255  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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