Structure of PDB 6c25 Chain A Binding Site BS02

Receptor Information

>6c25 Chain A (length=394) Species: 446 (Legionella pneumophila)

MGKNVVVLGTQWGDEGKGKIVDLLTQDAQVVVRYQGGHNAGHTLKITVLR
LIPSGMLRPNVTCYIANGVVLSPQALLSEIKELEGNGINVRERLRISLAC
PLILPYHIALDKARETHRGIGPAYEDKVARRALRVGDLFHRDRFANKLTE
LLDYHNFVLTQYFKQPAVDLESLLGESLQWAEELRPMVCDVSACLHEHRK
QGENILFEGASVINGAGFGPRYIDYVLGITKAYTTRVGGGPFPTELLDDV
GKRIAERGQEFGAVTGRPRRCGWFDAVLLKRSIELNSISGLCVTKLDVLD
GLEVLRIAVAYKDRDGNILSRPPLAADDFNDLLPVYEELPGWQESTADVT
VMSDLPANARAYLKRIEEILGIPIDMLSTGPERDSTITLRGPFL

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: 6c25 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6c25 Crystal structure of Adenylosuccinate synthetase from Legionella pneumophila Philadelphia 1 in complex with GDP
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D14 G16
• Binding residue (residue number reindexed from 1): D14 G16
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D14 K17 G41 H42
• Catalytic site (residue number reindexed from 1): D14 K17 G41 H42
• Enzyme Commision number: 6.3.4.4: adenylosuccinate synthase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0000287 magnesium ion binding
• GO:0004019 adenylosuccinate synthase activity
• GO:0005525 GTP binding
• GO:0016874 ligase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006164 purine nucleotide biosynthetic process
• GO:0044208 'de novo' AMP biosynthetic process
• GO:0046040 IMP metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6c25, PDBe:6c25, PDBj:6c25
• PDBsum: 6c25
• UniProt: Q8RNM2|PURA_LEGPN Adenylosuccinate synthetase (Gene Name=purA)