Structure of PDB 6fhb Chain A Binding Site BS01

Receptor Information

>6fhb Chain A (length=302) Species: 9606 (Homo sapiens)

ATVFRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTK
SSRRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGE
LFDFLAEKESLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDR
NVPKPRIKIIDFGLAHKIDFGNEFKNIFGTPEFVAPEIVNYEPLGLEADM
WSIGVITYILLSGASPFLGDTKQETLANVSAVNYEFEDEYFSNTSALAKD
FIRRLLVKDPKKRMTIQDSLQHPWIKPKDTQQALSRKAAAVNMEKFKKFA
AR

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: 6fhb Chain A Residue 407

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6fhb Molecular mechanisms behind DAPK regulation: how phosphorylation switches work
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): K42 E64
• Binding residue (residue number reindexed from 1): K42 E64
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D139 K141 N144 D161 T180
• Catalytic site (residue number reindexed from 1): D139 K141 N144 D161 T180
• 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:6fhb, PDBe:6fhb, PDBj:6fhb
• PDBsum: 6fhb
• UniProt: P53355|DAPK1_HUMAN Death-associated protein kinase 1 (Gene Name=DAPK1)