Structure of PDB 3k5h Chain D Binding Site BS02

Receptor Information

>3k5h Chain D (length=380) Species: 5057 (Aspergillus clavatus)

WNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVT
GSFKEREAVRQLAKTCDVVTAEIEHVDTYALEEVASEVKIEPSWQAIRTI
QNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTMA
YDGRGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEV
LSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVF
GVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIP
AQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLYSKGAAKPG
RKMGHITVTAPTMHEAETHIQPLIDVVDRI

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: 3k5h Chain D Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3k5h Structural and functional studies of Aspergillus clavatus N(5)-carboxyaminoimidazole ribonucleotide synthetase
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): E254 E267
• Binding residue (residue number reindexed from 1): E253 E266
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y152 G154 E254 E267 N274 S275 K353
• Catalytic site (residue number reindexed from 1): Y151 G153 E253 E266 N273 S274 K352
• Enzyme Commision number: 4.1.1.21: phosphoribosylaminoimidazole carboxylase.

Gene Ontology

Molecular Function

• GO:0004638 phosphoribosylaminoimidazole carboxylase activity
• GO:0005524 ATP binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006189 'de novo' IMP biosynthetic process

External links

• PDB: RCSB:3k5h, PDBe:3k5h, PDBj:3k5h
• PDBsum: 3k5h
• PubMed: 20050602
• UniProt: A1CII2