Structure of PDB 6n9m Chain A Binding Site BS03

Receptor Information

>6n9m Chain A (length=331) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2)

MIDITLPLTDIHRHLDGNIRAQTILDLGRQFNIALPAQTLETLIPHVQVT
STEPDLVSFLTKLDWGVKVLASLDACRRVAFENIEDAARNGLHYVELRFS
PGYMAMAHQLPIAGVVEAVIDGVRDGCNTFGVEARLIGIMSRTFGEAACL
QELDALLAHRENITALDLAGDELGFPGSLFLSHFNRARDAGWHITVHAGE
AAGPESIWQAIRELGAERIGHGVKAVEDRALMDFLAQQRIGIESCLTSNI
QTSTVASLADHPLKTFLEHGVLASLNTDDPAVQGVDIIHEYHVAAPAAGL
SREQIRQAQINGLEIAFLSDSEKRALREKVA

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 6n9m Chain A Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6n9m Crystal Structure of Adenosine Deaminase from Salmonella typhimurium Complexed with Pentostatin (Deoxycoformycin) (CASP target)
• Resolution: 1.449 Å
• Binding residue (original residue number in PDB): G131 E133
• Binding residue (residue number reindexed from 1): G131 E133
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.4.4: adenosine deaminase.

Gene Ontology

Molecular Function

• GO:0004000 adenosine deaminase activity
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0019239 deaminase activity
• GO:0046872 metal ion binding
• GO:0046936 2'-deoxyadenosine deaminase activity

Biological Process

• GO:0006154 adenosine catabolic process
• GO:0009117 nucleotide metabolic process
• GO:0009168 purine ribonucleoside monophosphate biosynthetic process
• GO:0043103 hypoxanthine salvage
• GO:0046103 inosine biosynthetic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:6n9m, PDBe:6n9m, PDBj:6n9m
• PDBsum: 6n9m
• UniProt: Q8ZPL9|ADD_SALTY Adenosine deaminase (Gene Name=add)