Structure of PDB 1zfs Chain A Binding Site BS01

Receptor Information
>1zfs Chain A (length=93) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSELETAMETLINVFHAHSGKEGDKYKLSKKELKDLLQTELSSFLDVQKD
ADAVDKIMKELDENGDGEVDFQEFVVLVAALTVACNNFFWENS
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 chain1zfs Chain A Residue 103 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1zfs The three-dimensional solution structure of Ca(2+)-bound S100A1 as determined by NMR spectroscopy
ResolutionN/A
Binding residue
(original residue number in PDB)		L61 D62 D66 E68 E73
Binding residue
(residue number reindexed from 1)		L61 D62 D66 E68 E73
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0044548 S100 protein binding
GO:0046872 metal ion binding
GO:0048306 calcium-dependent protein binding
GO:0051117 ATPase binding
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0008016 regulation of heart contraction
GO:1903672 positive regulation of sprouting angiogenesis
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0016529 sarcoplasmic reticulum
GO:0030018 Z disc
GO:0031430 M band
GO:0031672 A band
GO:0031674 I band

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1zfs, PDBe:1zfs, PDBj:1zfs
PDBsum1zfs
PubMed16169012
UniProtP35467|S10A1_RAT Protein S100-A1 (Gene Name=S100a1)

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