Structure of PDB 5coc Chain A Binding Site BS01

Receptor Information
>5coc Chain A (length=124) Species: 1280,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKEQQNAFYEILHLPNLNEEQRNAFIQSLKDDPSQSANLLAEAKCLNDAQ
AAAEECIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMI
NEVDADGNGTIDFPEFLTMMARKM
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 chain5coc Chain A Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5coc Connecting two proteins using a fusion alpha helix stabilized by a chemical cross linker.
Resolution2.6691 Å
Binding residue
(original residue number in PDB)		D1057 D1059 N1061 T1063 E1068
Binding residue
(residue number reindexed from 1)		D104 D106 N108 T110 E115
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0019865 immunoglobulin binding

View graph for
Molecular Function
External links
PDB RCSB:5coc, PDBe:5coc, PDBj:5coc
PDBsum5coc
PubMed26980593
UniProtP0DP23|CALM1_HUMAN Calmodulin-1 (Gene Name=CALM1);
P38507|SPA_STAAU Immunoglobulin G-binding protein A (Gene Name=spa)

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