Structure of PDB 5j3x Chain D Binding Site BS02

Receptor Information

>5j3x Chain D (length=389) Species: 9606 (Homo sapiens)

PPGTVDKKMVEKCWKLMDKVVRLCQNPKLALKNSPPYILDLLPDTYQHLR
TILSRYEGKMETLGENEYFRVFMENLMKKTKQTISLFKEGKERMYEENSQ
PRRNLTKLSLIFSHMLAELKGIFPSGLFQGDTFRITKADAAEFWRKAFGE
KTIVPWKSFRQALHEVHPISSGLEAMALKSTIDLTCNDYISVFEFDIFTR
LFQPWSSLLRNWNSLAVTHPGYMAFLTYDEVKARLQKFIHKPGSYIFRLS
CTRLGQWAIGYVTADGNILQTIPHNKPLFQALIDGFREGFYLFPDGRNQN
PDLTGLCEPTPQDHIKVTQEQYELFCEMGSTFQLCKICAENDKDVKIEPC
GHLMCTSCLTSWQESEGQGCPFCRCEIKGTEPIVVDPFD

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 5j3x Chain D Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5j3x Casitas B-lineage lymphoma linker helix mutations found in myeloproliferative neoplasms affect conformation.
• Resolution: 2.822 Å
• Binding residue (original residue number in PDB): C396 H398 C416 C419
• Binding residue (residue number reindexed from 1): C350 H352 C370 C373
• 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:5j3x, PDBe:5j3x, PDBj:5j3x
• PDBsum: 5j3x
• PubMed: 27609087
• UniProt: P22681|CBL_HUMAN E3 ubiquitin-protein ligase CBL (Gene Name=CBL)