Structure of PDB 4llt Chain B Binding Site BS03

Receptor Information

>4llt Chain B (length=290) Species: 375451 (Roseobacter denitrificans OCh 114)

SMFTQRLDAAAAAVQAHFDKVLAAFEPLPIVEAMAHATSGGKRLRGFLVL
ETARLHDIAAGEAIWSATAIEALHAYSLVHDDLPCMDNDDMRRGQPTVHK
KWDDATAVLAGDALQTLAFELVTHPGASASAEVRADLALSLARASGAQGM
VLGQALDIAAETARAPLSLDEITRLQQGKTGALIGWSAQAGARLAQADTA
ALKRYAQALGLAFQIADDILDVTGDSAQVGKAVGKDASAGKATFVSLLGL
DAARARAMSLIDEACDSLATYGAKADTLRETARFVVRRTH

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: 4llt Chain B Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4llt Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with two IPP and calcium bound in active site
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): D80 D86
• Binding residue (residue number reindexed from 1): D81 D87
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D18
• Catalytic site (residue number reindexed from 1): D19
• Enzyme Commision number: 2.5.1.10: (2E,6E)-farnesyl diphosphate synthase.

Gene Ontology

Molecular Function

• GO:0004337 geranyltranstransferase activity
• GO:0004659 prenyltransferase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0008299 isoprenoid biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4llt, PDBe:4llt, PDBj:4llt
• PDBsum: 4llt
• UniProt: Q16CN9