Structure of PDB 2pw6 Chain A Binding Site BS01

Receptor Information

>2pw6 Chain A (length=244) Species: 83333 (Escherichia coli K-12)

RMPALFLGHGPMNVLEDNLYTRSWQKLGMTLPRPQAIVVVSAHWFTRGTG
VTAMETLYDTHYPAPGSPALAQRLVELLAPIPVTLDKEAWGFDHGSWGVL
IKMYPDADIPMVQLSIDSSKPAAWHFEMGRKLAALRDEGIMLVASGNVVH
NLRTVKWHGDSSPYPWATSFNEYVKANLTWQGPVEQHPLVNYLDHEGGTL
SNPTPEHYLPLLYVLGAWDGQEPITIPVEGIEMGSLSMLSVQIG

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: 2pw6 Chain A Residue 272

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2pw6 Crystal structure of uncharacterized protein JW3007 from Escherichia coli K12.
• Resolution: 2.27 Å
• Binding residue (original residue number in PDB): H22 H57 H234
• Binding residue (residue number reindexed from 1): H9 H43 H207
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.13.11.29: stizolobate synthase.

Gene Ontology

Molecular Function

• GO:0008198 ferrous iron binding
• GO:0008270 zinc ion binding
• GO:0016491 oxidoreductase activity
• GO:0016701 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen
• GO:0046872 metal ion binding
• GO:0050297 stizolobate synthase activity
• GO:0051213 dioxygenase activity

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:2pw6, PDBe:2pw6, PDBj:2pw6
• PDBsum: 2pw6
• UniProt: P24197|YGID_ECOLI 4,5-DOPA dioxygenase extradiol (Gene Name=ygiD)