Structure of PDB 1nfg Chain B Binding Site BS02

Receptor Information

>1nfg Chain B (length=457) Species: 329 (Ralstonia pickettii)

MDIIIKNGTIVTADGISRADLGIKDGKITQIGGALGPAERTIDAAGRYVF
PGGIDVHTHVETVSFNTQSADTFATATVAAACGGTTTIVDFCQQDRGHSL
AEAVAKWDGMAGGKSAIDYGYHIIVLDPTDSVIEELEVLPDLGITSFKVF
MAYRGMNMIDDVTLLKTLDKAVKTGSLVMVHAENGDAADYLRDKFVAEGK
TAPIYHALSRPPRVEAEATARALALAEIVNAPIYIVHVTCEESLEEVMRA
KSRGVRALAETCTHYLYLTKEDLERPDFEGAKYVFTPPARAKKDHDVLWN
ALRNGVFETVSSDHCSWLFKGHKDRGRNDFRAIPNGAPGVEERLMMVYQG
VNEGRISLTQFVELVATRPAKVFGMFPQKGTIAVGSDADIVLWDPEAEMV
IEQTAMHNAMDYSSYEGHKVKGVPKTVLLRGKVIVDEGSYVGEPTDGKFL
KRRKYKQ

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 1nfg Chain B Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1nfg Crystal Structure of D-Hydantoinase from Burkholderia pickettii at a Resolution of 2.7 Angstroms: Insights into the Molecular Basis of Enzyme Thermostability.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): K148 H181 H237
• Binding residue (residue number reindexed from 1): K148 H181 H237
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.5.2.-

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
• GO:0046872 metal ion binding

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1nfg, PDBe:1nfg, PDBj:1nfg
• PDBsum: 1nfg
• PubMed: 12837777
• UniProt: Q8VTT5|HYDA_RALPI D-hydantoinase (Gene Name=hyuA)