Structure of PDB 1x8b Chain A Binding Site BS02

Receptor Information

>1x8b Chain A (length=259) Species: 9606 (Homo sapiens)

MKSRYTTEFHELEKIGSGEFGSVFKCVKRLDGCIYAIKRSKKPLAGSVDE
QNALREVYAHAVLGQHSHVVRYFSAWAEDDHMLIQNEYCNGGSLADAISE
NYRIMSYFKEAELKDLLLQVGRGLRYIHSMSLVHMDIKPSNIFISKVMFK
IGDLGHVTRISSPQVEEGDSRFLANEVLQENYTHLPKADIFALALTVVCA
AGAEPLPRNGDQWHEIRQGRLPRIPQVLSQEFTELLKVMIHPDPERRPSA
MALVKHSVL

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: 1x8b Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1x8b Structure and inhibition of the human cell cycle checkpoint kinase, Wee1A kinase: an atypical tyrosine kinase with a key role in CDK1 regulation
• Resolution: 1.81 Å
• Binding residue (original residue number in PDB): N342 G465
• Binding residue (residue number reindexed from 1): N52 G155
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D426 K428
• Catalytic site (residue number reindexed from 1): D136 K138
• Enzyme Commision number: 2.7.10.2: non-specific protein-tyrosine kinase.

Gene Ontology

Molecular Function

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

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:1x8b, PDBe:1x8b, PDBj:1x8b
• PDBsum: 1x8b
• PubMed: 15837193
• UniProt: P30291|WEE1_HUMAN Wee1-like protein kinase (Gene Name=WEE1)