Structure of PDB 2i6k Chain A Binding Site BS03

Receptor Information

>2i6k Chain A (length=224) Species: 9606 (Homo sapiens)

INTNHLDKQQVQLLAEMCILIDENDNKIGAETKKNCHLNENIEKGLLHRA
FSVFLFNTENKLLLQQRSDAKITFPGCFTNTCCSHPLSNPAELEESDALG
VRRAAQRRLKAELGIPLEEVPPEEINYLTRIHYKAQSDGIWGEHEIDYIL
LVRMNVTLNPDPNEIKSYCYVSKEELKELLKKAASGEIKITPWFKIIAAT
FLFKWWDNLNHLNQFVDHEKIYRM

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: 2i6k Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2i6k Crystal structures of human IPP isomerase: new insights into the catalytic mechanism
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): E97 S99
• Binding residue (residue number reindexed from 1): E94 S96
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H51 C86 H88 E115 Y136 E146 E148 W196
• Catalytic site (residue number reindexed from 1): H48 C83 H85 E112 Y133 E143 E145 W193
• Enzyme Commision number: 5.3.3.2: isopentenyl-diphosphate Delta-isomerase.

Gene Ontology

Molecular Function

• GO:0004452 isopentenyl-diphosphate delta-isomerase activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006695 cholesterol biosynthetic process
• GO:0008299 isoprenoid biosynthetic process
• GO:0009240 isopentenyl diphosphate biosynthetic process
• GO:0050992 dimethylallyl diphosphate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005777 peroxisome
• GO:0005829 cytosol

External links

• PDB: RCSB:2i6k, PDBe:2i6k, PDBj:2i6k
• PDBsum: 2i6k
• PubMed: 17137593
• UniProt: Q13907|IDI1_HUMAN Isopentenyl-diphosphate Delta-isomerase 1 (Gene Name=IDI1)