Structure of PDB 3njh Chain C Binding Site BS01

Receptor Information
>3njh Chain C (length=120) Species: 70863 (Shewanella oneidensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQGLAQFIKVNVTLENGEPVFIYTDANGQVCQGAITVTQAGTITYLLNDQ
TLKGLKFVGVGFVTPFDGIIDAVTISSDGMLVQLVDLDKTPGTTKFQFVL
SNTANTLLVLSPDPQIINRP
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 chain3njh Chain C Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3njh Characterization of member of DUF1888 protein family, self-cleaving and self-assembling endopeptidase.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		G71 I72 D74 D89 D91
Binding residue
(residue number reindexed from 1)		G68 I69 D71 D86 D88
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0046872 metal ion binding
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3njh, PDBe:3njh, PDBj:3njh
PDBsum3njh
PubMed22493430
UniProtQ8EGA7

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