Structure of PDB 5esr Chain A Binding Site BS05

Receptor Information

>5esr Chain A (length=308) Species: 190650 (Caulobacter vibrioides CB15)

MDVLRTPDERFEGLADWSFAPHYTEVTDADGTALRIHHVDEGPKDQRPIL
LMHGEPSWAYLYRKVIAELVAKGHRVVAPDLVGFGRSDKPAKRTDYTYER
HVAWMSAWLEQNDLKDIVLFCQDWGGLIGLRLVAAFPERFSAVVVSNTGL
PIGVGKSEGFEAWLNFSQNTPELPVGFILNGGTARDLSDAERSAYDAPFP
DESYKEGARIFPALVPITPEHASVEENKAAWAVLETFDKPFVTAFSDADP
ITRGGEAMFLARVPGTKNVAHTTLKGGHFVQEDSPVEIAALLDGLVAGLP
QAHHHHHH

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 5esr Chain A Residue 408

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5esr Biochemical characterization of two haloalkane dehalogenases: DccA from Caulobacter crescentus and DsaA from Saccharomonospora azurea.
• Resolution: 1.476 Å
• Binding residue (original residue number in PDB): H74 D293
• Binding residue (residue number reindexed from 1): H74 D293
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E55 D123 W124 N147 W163 D249 H278
• Catalytic site (residue number reindexed from 1): E55 D123 W124 N147 W163 D249 H278
• Enzyme Commision number: 3.8.1.5: haloalkane dehalogenase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004301 epoxide hydrolase activity
• GO:0016787 hydrolase activity
• GO:0018786 haloalkane dehalogenase activity

External links

• PDB: RCSB:5esr, PDBe:5esr, PDBj:5esr
• PDBsum: 5esr
• PubMed: 26833751
• UniProt: Q9A919|DHMA_CAUVC Haloalkane dehalogenase (Gene Name=dhmA)