Structure of PDB 3gf0 Chain A Binding Site BS01

Receptor Information

>3gf0 Chain A (length=199) Species: 2190 (Methanocaldococcus jannaschii)

MILSDKDIIDYVTSKRIIIKPFNKDFVGPCSYDVTLGDEFIIYDDEVYDL
SKELNYKRIKIKNSILVCPLNYNLTEEKINYFKEKYNVDYVVEGGVLGTT
NEYIELPNDISAQYQGRSSLGRVFLTSHQTAGWIDAGFKGKITLQIVAFD
KPVILYKNQRIGQLIFSKLLSPADVGYSERKTSKYAYQKSVMPSLIHLD

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: 3gf0 Chain A Residue 206

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3gf0 Pre-steady State Kinetic and Structural Evidence for a Concerted Biofunctionality in dCTP deaminase-dUTPase from Methanocaldococcus jannaschii
• Resolution: 2.62 Å
• Binding residue (original residue number in PDB): E93 G95
• Binding residue (residue number reindexed from 1): E93 G95
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S118 R122 A131 W133 Q145
• Catalytic site (residue number reindexed from 1): S118 R122 A131 W133 Q145
• Enzyme Commision number: 3.5.4.30: dCTP deaminase (dUMP-forming).

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0008829 dCTP deaminase activity
• GO:0016787 hydrolase activity
• GO:0033973 dCTP deaminase (dUMP-forming) activity

Biological Process

• GO:0006226 dUMP biosynthetic process
• GO:0006229 dUTP biosynthetic process
• GO:0009117 nucleotide metabolic process

External links

• PDB: RCSB:3gf0, PDBe:3gf0, PDBj:3gf0
• PDBsum: 3gf0
• UniProt: Q57872|DCDB_METJA dCTP deaminase, dUMP-forming (Gene Name=dcd)