Structure of PDB 1k1d Chain E Binding Site BS01

Receptor Information

>1k1d Chain E (length=460) Species: 1422 (Geobacillus stearothermophilus)

MTKIIKNGTIVTATDTYEAHLLIKDGKIAMIGQNLEEKGAEVIDAKGCYV
FPGGIDPHTHLDMPLGGTVTKDDFESGTIAAAFGGTTTIIDFCLTNKGEP
LKKAIETWHNKANGKAVIDYGFHLMISEITDDVLEELPKVLEEEGITSLK
VFMAYKNVFQADDGTLYCTLLAAKELGALVMVHAENGDVIDYLTKKALAD
GNTDPIYHALTRPPELEGEATGRACQLTELAGSQLYVVHVTCAQAVEKIA
EARNKGLDVWGETCPQYLVLDQSYLEKPNFEGAKYVWSPPLREKWHQEVL
WNALKNGQLQTLGSDQCSFDFKGQKELGRGDFTKIPNGGPIIEDRVSILF
SEGVKKGRITLNQFVDIVSTRIAKLFGLFPKKGTIVVGSDADLVIFDPNI
ERVISAETHHMAVDYNAFEGMKVTGEPVSVLCRGEFVVRDKQFVGKPGYG
QYLKRAKYGT

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: 1k1d Chain E Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1k1d Crystal structure of D-hydantoinase from Bacillus stearothermophilus: insight into the stereochemistry of enantioselectivity.
• Resolution: 3.01 Å
• Binding residue (original residue number in PDB): K150 H183 H239
• Binding residue (residue number reindexed from 1): K150 H183 H239
• 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:1k1d, PDBe:1k1d, PDBj:1k1d
• PDBsum: 1k1d
• PubMed: 12135362
• UniProt: Q45515|HYDA_GEOSE D-hydantoinase