Structure of PDB 3b7y Chain A Binding Site BS02

Receptor Information
>3b7y Chain A (length=144) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATCAVEVFGLLEDEENSRIVRVRVIAGIGLASDPYVRVTLYDPMNGVLTS
VQTKTIKKSLNPKWNEEILFRVHPQQHRLLFEVFDENRLTRDDFLGQVDV
PLYPLPTENPRLERPYTFKDFVLHPRSHKSRVKGYLRLKMTYLP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3b7y Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3b7y C2 Domain of the Human E3 Ubiquitin-Protein Ligase NEDD4.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D141 D193 E194 N195
Binding residue
(residue number reindexed from 1)		D33 D85 E86 N87
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.2.26: HECT-type E3 ubiquitin transferase.
External links
PDB RCSB:3b7y, PDBe:3b7y, PDBj:3b7y
PDBsum3b7y
PubMed
UniProtP46934|NEDD4_HUMAN E3 ubiquitin-protein ligase NEDD4 (Gene Name=NEDD4)

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