Structure of PDB 1ow2 Chain A Binding Site BS01

Receptor Information

>1ow2 Chain A (length=176) Species: 562 (Escherichia coli)

EHVILLNAQGVPTGTLEKYAAHTADTRLHLAFSSWLFNAKGQLLVTRRAL
SKKAWPGVWTNSVAGHPQLGESNEDAVIRRCRYELGVEITPPESIYPDFR
YRATDPSGIVENEVCPVFAARTTSALQINDDEVMDYQWCDLADVLHGIDA
TPWAFSPWMVMQATNREARKRLSAFT

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 1ow2 Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ow2 Crystal structure of the C67A mutant of isopentenyl diphosphate isomerase complexed with a mechanism-based irreversible inhibitor
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H25 H32 H69 E114 E116
• Binding residue (residue number reindexed from 1): H22 H29 H66 E111 E113
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H25 H32 A67 H69 E87 Y104 E114 E116 W161
• Catalytic site (residue number reindexed from 1): H22 H29 A64 H66 E84 Y101 E111 E113 W158
• Enzyme Commision number: 5.3.3.2: isopentenyl-diphosphate Delta-isomerase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0004452 isopentenyl-diphosphate delta-isomerase activity
• GO:0008270 zinc ion binding
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006974 DNA damage response
• GO:0008299 isoprenoid biosynthetic process
• GO:0050992 dimethylallyl diphosphate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1ow2, PDBe:1ow2, PDBj:1ow2
• PDBsum: 1ow2
• PubMed: 14696183
• UniProt: Q46822|IDI_ECOLI Isopentenyl-diphosphate Delta-isomerase (Gene Name=idi)