Structure of PDB 6zfe Chain A Binding Site BS04

Receptor Information
>6zfe Chain A (length=108) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APSQMERSITTIIDTFHQYSRKEGHPDTLSKKEFRQMVEAQLATFMKKEK
RNEALINDIMEDLDTNQDNQLSFEEAMMLMAKLIFACHEKLHENNPRGHG
HSHGKGCG
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6zfe Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zfe Divalent cations influence the dimerization mode of murine S100A9 protein by modulating its disulfide bond pattern.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		H103 H105 H107
Binding residue
(residue number reindexed from 1)		H99 H101 H103
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0016209 antioxidant activity
GO:0046872 metal ion binding
Biological Process
GO:0002523 leukocyte migration involved in inflammatory response
GO:0002790 peptide secretion
GO:0002793 positive regulation of peptide secretion
GO:0006417 regulation of translation
GO:0006914 autophagy
GO:0006915 apoptotic process
GO:0006919 activation of cysteine-type endopeptidase activity involved in apoptotic process
GO:0006935 chemotaxis
GO:0006954 inflammatory response
GO:0014002 astrocyte development
GO:0018119 peptidyl-cysteine S-nitrosylation
GO:0030036 actin cytoskeleton organization
GO:0030194 positive regulation of blood coagulation
GO:0030593 neutrophil chemotaxis
GO:0030595 leukocyte chemotaxis
GO:0034121 regulation of toll-like receptor signaling pathway
GO:0045087 innate immune response
GO:0045113 regulation of integrin biosynthetic process
GO:0050729 positive regulation of inflammatory response
GO:0060264 regulation of respiratory burst involved in inflammatory response
GO:0070488 neutrophil aggregation
GO:0098869 cellular oxidant detoxification
GO:2001244 positive regulation of intrinsic apoptotic signaling pathway
Cellular Component
GO:0001533 cornified envelope
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005886 plasma membrane
GO:1990660 calprotectin complex
GO:1990662 S100A9 complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6zfe, PDBe:6zfe, PDBj:6zfe
PDBsum6zfe
PubMed33359632
UniProtP31725|S10A9_MOUSE Protein S100-A9 (Gene Name=S100a9)

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