Structure of PDB 3mvh Chain A Binding Site BS02

Receptor Information

>3mvh Chain A (length=312) Species: 9606 (Homo sapiens)

VTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVAH
TLTENRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERV
FSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFG
LCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMC
GRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGG
GSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFTA
QRPHFPQFDYSA

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: 3mvh Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3mvh Design of selective, ATP-competitive inhibitors of Akt.
• Resolution: 2.01 Å
• Binding residue (original residue number in PDB): E314 H354
• Binding residue (residue number reindexed from 1): E170 H210
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D274 K276 N279 D292 T312
• Catalytic site (residue number reindexed from 1): D130 K132 N135 D148 T168
• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0004674 protein serine/threonine kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:3mvh, PDBe:3mvh, PDBj:3mvh
• PDBsum: 3mvh
• PubMed: 20481595
• UniProt: P31749|AKT1_HUMAN RAC-alpha serine/threonine-protein kinase (Gene Name=AKT1)