Structure of PDB 4f99 Chain A Binding Site BS02

Receptor Information

>4f99 Chain A (length=312) Species: 9606 (Homo sapiens)

KKDIEKLYEAVPQLSNVFKIEDKIGEGTFSSVYLATAQLQVGPEEKIALK
HLIPTSHPIRIAAELQCLTVAGGQDNVMGVKYCFRKNDHVVIAMPYLEHE
SFLDILNSLSFQEVREYMLNLFKALKRIHQFGIVHRDVKPSNFLYNRRLK
KYALVDFGLAQGTHDTKIELLKFVQSEAQQRAGTPGFRAPEVLTKCPNQT
TAIDMWSAGVIFLSLLSGRYPFYKASDDLTALAQIMTIRGSRETIQAAKT
FGKSILCSKEVPAQDLRKLCERLRWNEVPDEAYDLLDKLLDLNPASRITA
EEALLHPFFKDM

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: 4f99 Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4f99 Crystal structure of human CDC7 kinase in complex with its activator DBF4.
• Resolution: 2.33 Å
• Binding residue (original residue number in PDB): N182 D196
• Binding residue (residue number reindexed from 1): N142 D156
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D177 K179 N182 D196 T376
• Catalytic site (residue number reindexed from 1): D137 K139 N142 D156 T184
• 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:4f99, PDBe:4f99, PDBj:4f99
• PDBsum: 4f99
• PubMed: 23064647
• UniProt: O00311|CDC7_HUMAN Cell division cycle 7-related protein kinase (Gene Name=CDC7)