Structure of PDB 1dwk Chain I Binding Site BS01

Receptor Information

>1dwk Chain I (length=156) Species: 562 (Escherichia coli)

MIQSQINRNIRLDLADAILLSKAKKDLSFAEIADGTGLAEAFVTAALLGQ
QALPADAARLVGAKLDLDEDSILLLQMIPLRGCIDDRIPTDPTMYRFYEM
LQVYGTTLKALVHEKFGDGIISAINFKLDVKKVADPEGGERAVITLDGKY
LPTKPF

Ligand information

• Ligand ID: OXL
• InChI: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
• InChIKey: MUBZPKHOEPUJKR-UHFFFAOYSA-L
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341: [O-]C(=O)C([O-])=O
  OpenEye OEToolkits 1.5.0: C(=O)(C(=O)[O-])[O-]
• Formula: C2 O4
• Name: OXALATE ION
• PDB chain: 1dwk Chain C Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1dwk Structure of Cyanase Reveals that a Novel Dimeric and Decameric Arrangement of Subunits is Required for Formation of the Enzyme Active Site.
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): I120 S122 L151
• Binding residue (residue number reindexed from 1): I120 S122 L151
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R96 E99 S122
• Catalytic site (residue number reindexed from 1): R96 E99 S122
• Enzyme Commision number: 4.2.1.104: cyanase.

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0008824 cyanate hydratase activity
• GO:0016829 lyase activity

Biological Process

• GO:0009439 cyanate metabolic process
• GO:0009440 cyanate catabolic process

External links

• PDB: RCSB:1dwk, PDBe:1dwk, PDBj:1dwk
• PDBsum: 1dwk
• PubMed: 10801492
• UniProt: P00816|CYNS_ECOLI Cyanate hydratase (Gene Name=cynS)