Structure of PDB 4ndb Chain B Binding Site BS02

Receptor Information
>4ndb Chain B (length=184) Species: 1051067 (Doryteuthis pealeii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLSDFQRNKILRVFNTFYDCNHDGVIEWDDFELAIKKICNLHSWPTDGKK
HNEARADLKLIWDGLRKYADENEDEQVTKEEWLKMWAECVKSVEKGESLP
EWLTKYMNFMFDVNDTSGDNIIDKHEYSTVYMSYGIPKSDCDAAFDTLSD
GGKTMVTREIFARLWTEYFVSNDRGAKGNHLFGT
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 chain4ndb Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ndb X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D74 N76 D78 Q80 E85
Binding residue
(residue number reindexed from 1)		D70 N72 D74 Q76 E81
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4ndb, PDBe:4ndb, PDBj:4ndb
PDBsum4ndb
PubMed25760610
UniProtO76764

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