Structure of PDB 4qro Chain D Binding Site BS01

Receptor Information

>4qro Chain D (length=323) Species: 296591 (Polaromonas sp. JS666)

NGKIALEEHFATEETLMDSAGFVPDKDWPELRSRLLDIQDRRVRLMDEHG
IETMILSLNAPAVQAIADSTRANETARRANDFLAEQVAKQPTRFRGFAAL
PMQDPELAARELERCVKELGFVGALVNGFSQDNRSAVPLYYDMAQYWPFW
ETVQALDVPFYLHPRNPLPSDARIYDGHAWLLGPTWAFGQETAVHALRLM
GSGLFDKYPALKIILGHMGEGLPYSMWRIDHRNAWIKTTPKYPAKRKIVD
YFNENFYLTTSGNFRTQTLIDAILEIGADRILFSTDWPFENIDHAADWFE
NTSISEADRKKIGWGNAQNLFKL

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4qro Chain D Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4qro Crystal Structure of Dihydroxybenzoate Decarboxylase from Frompolaromonas Sp WITH BOUND MANGANESE AND 2-NITRORESORCINOL
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): E8 H10 H164 D287
• Binding residue (residue number reindexed from 1): E7 H9 H163 D286
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.1.1.103: gamma-resorcylate decarboxylase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0016831 carboxy-lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0019748 secondary metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:4qro, PDBe:4qro, PDBj:4qro
• PDBsum: 4qro
• UniProt: Q12BV1|GRDC_POLSJ Gamma-resorcylate decarboxylase (Gene Name=Bpro_2061)