Structure of PDB 1wad Chain A Binding Site BS01

Receptor Information
>1wad Chain A (length=111) Species: 879 (Megalodesulfovibrio gigas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDVPADGAKIDFIAGGEKNLTVVFNHSTHKDVKCDDCHHDPGDKQYAGCT
TDGCHNILDKADKSVNSWYKVVHDAKGGAKPTCISCHKDKAGDDKELKKK
LTGCKGSACHP
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 chain1wad Chain A Residue 116 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wad Cytochrome c3 from Desulfovibrio gigas: crystal structure at 1.8 A resolution and evidence for a specific calcium-binding site.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D11 I13 N19 L20
Binding residue
(residue number reindexed from 1)		D11 I13 N19 L20
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0009061 anaerobic respiration

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Molecular Function
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Biological Process
External links
PDB RCSB:1wad, PDBe:1wad, PDBj:1wad
PDBsum1wad
PubMed8819167
UniProtP00133|CYC3_MEGG1 Cytochrome c3

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