Structure of PDB 3zni Chain I Binding Site BS04

Receptor Information

>3zni Chain I (length=386) Species: 9606 (Homo sapiens)

ADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILS
KYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDR
RNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKT
IVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLF
QPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCT
RLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPD
LTGLCEPTPHDHIKVTQEQFELYCEMGSTFQLCKICAENDKDVKIEPCGH
LMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPF

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: 3zni Chain I Residue 1429

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3zni Essentiality of a Non-Ring Element in Priming Donor Ubiquitin for Catalysis by a Monomeric E3.
• Resolution: 2.21 Å
• Binding residue (original residue number in PDB): D221 T223 N225 Y227 E232
• Binding residue (residue number reindexed from 1): D181 T183 N185 Y187 E192
• 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:3zni, PDBe:3zni, PDBj:3zni
• PDBsum: 3zni
• PubMed: 23851457
• UniProt: Q13191|CBLB_HUMAN E3 ubiquitin-protein ligase CBL-B (Gene Name=CBLB)