Structure of PDB 2uxr Chain B Binding Site BS01

Receptor Information

>2uxr Chain B (length=395) Species: 84980 (Desulfotalea psychrophila)

MKIQKTPLVELDGDEMTRVLWPLIKDKLLLPFIDLQTEYYDLGIEERDRT
NDQITIDAAEAIKKYGVGVKNATITPNQDRVEEYGLKEQWKSPNATVRAM
LDGTVFRKPIMVKNIKPSVRSWQKPIVVGRHAYGDFYKNAEIFAEAGGKL
EIVVTDKNGKETRQTIMEVDEPAIVQGIHNTVASIGHFARACFEYSLDQK
IDCWFATKDTISKQYDQRFKIIFEEIFAQEYKEKFAAAGIEYFYTLIDDV
VARMMKTEGGMLWACKNYDGDVMSDMVASAFGSLAMMSSVLVSPYGYFEY
EAAHGTVQRHYYQHLKGERTSTNPVALIYAWTGALRKRGELDGTPDLCAF
CDSLEAITIECIESGYMTGDLARICEPAAIKVLDSIEFIDELGKR

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: 2uxr Chain B Residue 1398

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2uxr Structural and Functional Properties of Isocitrate Dehydrogenase from the Psychrophilic Bacterium Desulfotalea Psychrophila Reveal a Cold -Active Enzyme with an Unusual High Thermal
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): D272 D276
• Binding residue (residue number reindexed from 1): D271 D275
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.1.1.42: isocitrate dehydrogenase (NADP(+)).

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0000287 magnesium ion binding
• GO:0004450 isocitrate dehydrogenase (NADP+) activity
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0046872 metal ion binding
• GO:0051287 NAD binding

Biological Process

• GO:0006099 tricarboxylic acid cycle
• GO:0006102 isocitrate metabolic process

External links

• PDB: RCSB:2uxr, PDBe:2uxr, PDBj:2uxr
• PDBsum: 2uxr
• PubMed: 17632124
• UniProt: Q6AQ66