Structure of PDB 5da5 Chain D Binding Site BS04

Receptor Information
>5da5 Chain D (length=91) Species: 1085 (Rhodospirillum rubrum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STHEPLEVLKEETVNRHRAIVSVMEELEAVDWYDQRVDASTDPELTAILA
HNRDEEKEHAAMTLEWLRRNDAKWAEHLRTYLFTEGPITAA
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 chain5da5 Chain D Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5da5 Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments.
Resolution2.064 Å
Binding residue
(original residue number in PDB)		E31 E34
Binding residue
(residue number reindexed from 1)		E25 E28
Annotation score1
Enzymatic activity
Enzyme Commision number 1.16.3.1: ferroxidase.
Gene Ontology
Molecular Function
GO:0004322 ferroxidase activity
Cellular Component
GO:0140737 encapsulin nanocompartment

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Molecular Function
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Cellular Component
External links
PDB RCSB:5da5, PDBe:5da5, PDBj:5da5
PDBsum5da5
PubMed27529188
UniProtQ2RVS1|FER_RHORT Encapsulated ferritin-like protein (Gene Name=fer)

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