Structure of PDB 3niz Chain A Binding Site BS01

Receptor Information

>3niz Chain A (length=288) Species: 353152 (Cryptosporidium parvum Iowa II)

YFQGLMEKYQKLEKVGEGTYGVVYKAKDSQGRIVALKRIRGIPSTAIREI
SLLKELHHPNIVSLIDVIHSERCLTLVFEFMEKDLKKVLDENKTGLQDSQ
IKIYLYQLLRGVAHCHQHRILHRDLKPQNLLINSDGALKLADFGLARAFG
IPVRHEVVTLWYRAPDVLMGSKKYSTSVDIWSIGCIFAEMITGKPLFPGV
TDDDQLPKIFSILGTPNPREWPQVQELPLWKQRTFQVFEKKPWSSIIPGF
CQEGIDLLSNMLCFDPNKRISARDAMNHPYFKDLDPQI

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: 3niz Chain A Residue 312

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3niz Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with ADP bound.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): N149 D162
• Binding residue (residue number reindexed from 1): N129 D142
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D144 K146 Q148 N149 D162 T182
• Catalytic site (residue number reindexed from 1): D124 K126 Q128 N129 D142 T159
• Enzyme Commision number: 2.7.11.22: cyclin-dependent kinase.
  2.7.11.23: [RNA-polymerase]-subunit kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0004674 protein serine/threonine kinase activity
• GO:0004693 cyclin-dependent protein serine/threonine kinase activity
• GO:0005524 ATP binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006468 protein phosphorylation
• GO:0016310 phosphorylation
• GO:0051301 cell division
• GO:0051726 regulation of cell cycle

Cellular Component

• GO:0005634 nucleus
• GO:0005737 cytoplasm

External links

• PDB: RCSB:3niz, PDBe:3niz, PDBj:3niz
• PDBsum: 3niz
• UniProt: Q5CRJ8