Structure of PDB 5bk9 Chain A Binding Site BS01

Receptor Information

>5bk9 Chain A (length=289) Species: 80866 (Delftia acidovorans)

PLSQRFERIAVQPLTGVLGAEITGVDLREPLDDSTWNEILDAFHTYQVIY
FPGQAITNEQHIAFSRRFGPVDPVPLLKSIEGYPEVQMIRREANESGRVI
GDDWHTDSTFLDAPPAAVVMRAIDVPEHGGDTGFLSMYTAWETLSPTMQA
TIEGLNVVHSATRVFGSLYQAQNRRFSNTSVKVMDVDAGDRETVHPLVVT
HPGSGRKGLYVNQVYCQRIEGMTDAESKPLLQFLYEHATRFDFTCRVRWK
KDQVLVWDNLCTMHRAVPDYAGKFRYLTRTTVGGVRPAR

Ligand information

• Ligand ID: VVO
• InChI: InChI=1S/O.V/q;+2
• InChIKey: MHHDXUNFNAZUGB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01
  OpenEye OEToolkits 2.0.6: O=[V+2]
  CACTVS 3.385: O=[V++]
• Formula: O V
• Name: oxovanadium(2+)
• PDB chain: 5bk9 Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5bk9 Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
• Resolution: 1.51 Å
• Binding residue (original residue number in PDB): H111 D113 H270
• Binding residue (residue number reindexed from 1): H105 D107 H264
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H111 D113 H270 R285
• Catalytic site (residue number reindexed from 1): H105 D107 H264 R279
• Enzyme Commision number: 1.14.11.44: (R)-dichlorprop dioxygenase (2-oxoglutarate).

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0016706 2-oxoglutarate-dependent dioxygenase activity
• GO:0031418 L-ascorbic acid binding
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5bk9, PDBe:5bk9, PDBj:5bk9
• PDBsum: 5bk9
• PubMed: 31209034
• UniProt: P83310|RDPA_DELAC (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase (Gene Name=rdpA)