Structure of PDB 3dhg Chain E Binding Site BS01

Receptor Information

>3dhg Chain E (length=304) Species: 300 (Pseudomonas mendocina)

FESKKPMRTWSHLAEMRKKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMN
LWYKQYRNASPLKHDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFN
EREHDQMVREGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCC
ILQTADSLRWLTHTAYRTHELSLTYPDAGLGEHERELWEKEPGWQGLREL
MEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLID
SQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLS
MLSS

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3dhg Chain E Residue 512

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3dhg Structural consequences of effector protein complex formation in a diiron hydroxylase.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): K31 H33 A145 S146
• Binding residue (residue number reindexed from 1): K29 H31 A143 S144
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.13.236: toluene 4-monooxygenase.

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0016491 oxidoreductase activity
• GO:0016709 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
• GO:0018638 toluene 4-monooxygenase activity

Biological Process

• GO:0009056 catabolic process
• GO:0042203 toluene catabolic process

External links

• PDB: RCSB:3dhg, PDBe:3dhg, PDBj:3dhg
• PDBsum: 3dhg
• PubMed: 19033467
• UniProt: Q00460|TMOE_PSEME Toluene-4-monooxygenase system, hydroxylase component subunit beta (Gene Name=tmoE)