Structure of PDB 3mfu Chain A Binding Site BS02

Receptor Information

>3mfu Chain A (length=302) Species: 9606 (Homo sapiens)

DVLFEDVYELCEVIGKGAFSVVRRCINRETGQQFAVKIVDVAKFTSSPGL
STEDLKREASICHMLKHPHIVELLETYSSDGMLYMVFEFMDGADLCFEIV
KRADAGFVYSEAVASHYMRQILEALRYCHDNNIIHRDVKPENVLLASKEN
SAPVKLGDFGVAIQLGESGLVAGGRVGTPHFMAPEVVKREPYGKPVDVWG
CGVILFILLSGCLPFYGTKERLFEGIIKGKYKMNPRQWSHISESAKDLVR
RMLMLDPAERITVYEALNHPWLKERDRYAYKIHLPETVEQLRKFNARRKL
KG

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 3mfu Chain A Residue 600

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3mfu Evolution of CASK into a Mg2+-sensitive kinase.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): N146 D162
• Binding residue (residue number reindexed from 1): N142 D158
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D141 K143 E145 N146 D162 T182
• Catalytic site (residue number reindexed from 1): D137 K139 E141 N142 D158 T178
• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:3mfu, PDBe:3mfu, PDBj:3mfu
• PDBsum: 3mfu
• PubMed: 20424264
• UniProt: O14936|CSKP_HUMAN Peripheral plasma membrane protein CASK (Gene Name=CASK)