Structure of PDB 1a7s Chain A Binding Site BS04

Receptor Information
>1a7s Chain A (length=221) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGRKARPRQFPFLASIQNQGRHFCGGALIHARFVMTAASCFPGVSTVV
LGAYDLRRRERQSRQTFSISSMSENGYDPQQNLNDLMLLQLDREANLTSS
VTILPLPLQNATVEAGTRCQVAGWGSQRSGGRLSRFPRFVNVTVTPEDQC
RPNNVCTGVLTRRGGICNGDGGTPLVCEGLAHGVASFSLGPCGRGPDFFT
RVALFRDWIDGVLNNPGPGPA
Ligand information
Ligand IDEOH
InChIInChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKeyLFQSCWFLJHTTHZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CCO
ACDLabs 11.02OCC
FormulaC2 H6 O
NameETHANOL
ChEMBLCHEMBL545
DrugBankDB00898
ZINC
PDB chain1a7s Chain A Residue 422 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1a7s Atomic resolution structure of human HBP/CAP37/azurocidin.
Resolution1.12 Å
Binding residue
(original residue number in PDB)		Q19 V54 T70
Binding residue
(residue number reindexed from 1)		Q19 V50 T66
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S41 D89 N172 G173 D174 G175 G176
Catalytic site (residue number reindexed from 1) S41 D85 N168 G169 D170 G171 G172
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0005515 protein binding
GO:0008201 heparin binding
GO:0008233 peptidase activity
GO:0015643 toxic substance binding
GO:0043395 heparan sulfate proteoglycan binding
Biological Process
GO:0001774 microglial cell activation
GO:0006508 proteolysis
GO:0006935 chemotaxis
GO:0006954 inflammatory response
GO:0007200 phospholipase C-activating G protein-coupled receptor signaling pathway
GO:0008347 glial cell migration
GO:0019730 antimicrobial humoral response
GO:0032724 positive regulation of fractalkine production
GO:0032731 positive regulation of interleukin-1 beta production
GO:0032760 positive regulation of tumor necrosis factor production
GO:0035556 intracellular signal transduction
GO:0035696 monocyte extravasation
GO:0042117 monocyte activation
GO:0042742 defense response to bacterium
GO:0043066 negative regulation of apoptotic process
GO:0043114 regulation of vascular permeability
GO:0045123 cellular extravasation
GO:0045348 positive regulation of MHC class II biosynthetic process
GO:0045785 positive regulation of cell adhesion
GO:0048246 macrophage chemotaxis
GO:0050766 positive regulation of phagocytosis
GO:0050829 defense response to Gram-negative bacterium
GO:0050930 induction of positive chemotaxis
GO:0051607 defense response to virus
GO:0060326 cell chemotaxis
GO:0070944 neutrophil-mediated killing of bacterium
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0016020 membrane
GO:0035577 azurophil granule membrane
GO:0035578 azurophil granule lumen
GO:0042582 azurophil granule
GO:0043231 intracellular membrane-bounded organelle
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1a7s, PDBe:1a7s, PDBj:1a7s
PDBsum1a7s
PubMed9761855
UniProtP20160|CAP7_HUMAN Azurocidin (Gene Name=AZU1)

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