Structure of PDB 2ztw Chain A Binding Site BS02

Receptor Information

>2ztw Chain A (length=345) Species: 274 (Thermus thermophilus)

MKVAVLPGDGIGPEVTEAALKVLRALDEAEGLGLAYEVFPFGGAAIDAFG
EPFPEPTRKGVEEAEAVLLGSVGGPKWDGLPRKIRPETGLLSLRKSQDLF
ANLRPAKVFPGLERLSPLKEEIARGVDVLIVRELTGGIYFGEPRGMSEAE
AWNTERYSKPEVERVARVAFEAARKRRKHVVSVDKANVLEVGEFWRKTVE
EVGRGYPDVALEHQYVDAMAMHLVRSPARFDVVVTGNIFGDILSDLASVL
PGSLGLLPSASLGRGTPVFEPVHGSAPDIAGKGIANPTAAILSAAMMLEH
AFGLVELARKVEDAVAKALLETPPPDLGGSAGTEAFTATVLRHLA

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: 2ztw Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ztw Crystal structure of 3-isopropylmalate dehydrogenase in complex with NAD(+) and a designed inhibitor
• Resolution: 2.79 Å
• Binding residue (original residue number in PDB): G203 Y206 V209
• Binding residue (residue number reindexed from 1): G203 Y206 V209
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y139 K185 D217 D241 D245
• Catalytic site (residue number reindexed from 1): Y139 K185 D217 D241 D245
• Enzyme Commision number: 1.1.1.85: 3-isopropylmalate dehydrogenase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003862 3-isopropylmalate dehydrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding
• GO:0051287 NAD binding

Biological Process

• GO:0009098 L-leucine biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:2ztw, PDBe:2ztw, PDBj:2ztw
• PDBsum: 2ztw
• PubMed: 19833522
• UniProt: Q5SIY4|LEU3_THET8 3-isopropylmalate dehydrogenase (Gene Name=leuB)