Structure of PDB 2pny Chain A Binding Site BS03

Receptor Information

>2pny Chain A (length=233) Species: 9606 (Homo sapiens)

LVPRGSMSDINLDWVDRRQLQRLEEMLIVVDENDKVIGADTKRNCHLNEN
IEKGLLHRAFSVVLFNTKNRILIQQRSDTKVTFPGYFTDSCSSHPLYNPA
ELEEKDAIGVRRAAQRRLQAELGIPGEQISPEDIVFMTIYHHKAKSDRIW
GEHEICYLLLVRKNVTLNPDPSETKSILYLSQEELWELLEREARGEVKVT
PWLRTIAERFLYRWWPHLDDVTPFVELHKIHRV

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 2pny Chain A Residue 230

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2pny Structure of the human Isopentenyl-diphosphate Delta-isomerase 2.
• Resolution: 1.81 Å
• Binding residue (original residue number in PDB): R16 K36 R70 K74 S86 S87 R111
• Binding residue (residue number reindexed from 1): R22 K42 R76 K80 S92 S93 R117
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 5.3.3.2: isopentenyl-diphosphate Delta-isomerase.

Gene Ontology

Molecular Function

• GO:0004452 isopentenyl-diphosphate delta-isomerase activity
• GO:0005515 protein binding
• 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:0046490 isopentenyl diphosphate metabolic process
• GO:0050992 dimethylallyl diphosphate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005777 peroxisome
• GO:0005829 cytosol
• GO:0043231 intracellular membrane-bounded organelle

External links

• PDB: RCSB:2pny, PDBe:2pny, PDBj:2pny
• PDBsum: 2pny
• UniProt: Q9BXS1|IDI2_HUMAN Isopentenyl-diphosphate delta-isomerase 2 (Gene Name=IDI2)