Structure of PDB 4a4b Chain A Binding Site BS04

Receptor Information

>4a4b Chain A (length=388) Species: 9606 (Homo sapiens)

PGTVDKKMVEKCWKLMDKVVRLCQNPKLALKNSPPYILDLLPDTYQHLRT
ILSRYEGKMETLGENEYFRVFMENLMKKTKQTISLFKEGKERMYEENSQP
RRNLTKLSLIFSHMLAELKGIFPSGLFQGDTFRITKADAAEFWRKAFGEK
TIVPWKSFRQALHEVHPISSGLEAMALKSTIDLTCNDYISVFEFDIFTRL
FQPWSSLLRNWNSLAVTHPGYMAFLTYDEVKARLQKFIHKPGSYIFRLSC
TRLGQWAIGYVTADGNILQTIPHNKPLFQALIDGFREGFYLFPDGRNQNP
DLTGLCEPTPQDHIKVTQEQFELYCEMGSTFQLCKICAENDKDVKIEPCG
HLMCTSCLTSWQESEGQGCPFCRCEIKGTEPIVVDPFD

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 4a4b Chain A Residue 1438

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4a4b Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl
• Resolution: 2.789 Å
• Binding residue (original residue number in PDB): D229 T231 N233 Y235 E240
• Binding residue (residue number reindexed from 1): D182 T184 N186 Y188 E193
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.3.2.27: RING-type E3 ubiquitin transferase.

Gene Ontology

Molecular Function

• GO:0001784 phosphotyrosine residue binding
• GO:0004842 ubiquitin-protein transferase activity
• GO:0005509 calcium ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0007166 cell surface receptor signaling pathway
• GO:0023051 regulation of signaling

External links

• PDB: RCSB:4a4b, PDBe:4a4b, PDBj:4a4b
• PDBsum: 4a4b
• PubMed: 22266821
• UniProt: P22681|CBL_HUMAN E3 ubiquitin-protein ligase CBL (Gene Name=CBL)