Structure of PDB 5k7x Chain E Binding Site BS04

Receptor Information

>5k7x Chain E (length=337) Species: 70601 (Pyrococcus horikoshii OT3)

PSVIVVGGQWGDEGKGSIVAYLSLHDEPEIIARGGVGTNAGHSVVINGKK
YAVRQIPTGFMQTKARLLIGAGVLVDPEVFFHELEQLKDFNVKDRVGIDY
RCAIIEEKHKQLDRTNGYLHGKIGTTGSGCGPANADRVMRKAKQAKDVKE
LEPYLTDVAQEINDALDEGSLVLVEGTQGFGLSLYYGTYPYVTSKDVTAS
SVAADVGIGPTRVDEVIVVFKSFPTRVGAGPFPTEMPMEEADRLGLVEYG
TVTGRRRRVGWFDFEMARYSARINGATMLAVTMLDKYDKEAFGVTDYDKL
PRKAKEFIEEIEERVGVPVGLIKTGPELEHIIDRRDT

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: 5k7x Chain E Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5k7x Crystal structure of hypothetical adenylosuccinate synthetase, PH0438 from Pyrococcus horikoshii OT3
• Resolution: 2.803 Å
• Binding residue (original residue number in PDB): D13 G42
• Binding residue (residue number reindexed from 1): D12 G41
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D13 K16 G42 H43 Q179
• Catalytic site (residue number reindexed from 1): D12 K15 G41 H42 Q178
• 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:5k7x, PDBe:5k7x, PDBj:5k7x
• PDBsum: 5k7x
• UniProt: O58187|PURA_PYRHO Adenylosuccinate synthetase (Gene Name=purA)