Structure of PDB 9atu Chain A Binding Site BS01

Receptor Information
>9atu Chain A (length=218) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRA
VRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVILQLNGSATI
NANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTS
LCRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYP
DAFAPVAQFVNWIDSIIQ
Ligand information
Ligand IDFUC
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeySHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBLCHEMBL1232862
DrugBankDB04473
ZINCZINC000001532814
PDB chain9atu Chain H Residue 3 [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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PDB9atu Bifunctional Inhibition of Neutrophil Elastase by Eap4 from S. aureus
Resolution2.05 Å
Binding residue
(original residue number in PDB)		C207 N208
Binding residue
(residue number reindexed from 1)		C179 N180
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.37: leukocyte elastase.
Gene Ontology
Molecular Function
GO:0002020 protease binding
GO:0003714 transcription corepressor activity
GO:0004175 endopeptidase activity
GO:0004252 serine-type endopeptidase activity
GO:0005515 protein binding
GO:0008201 heparin binding
GO:0008233 peptidase activity
GO:0008236 serine-type peptidase activity
GO:0019955 cytokine binding
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0001878 response to yeast
GO:0002438 acute inflammatory response to antigenic stimulus
GO:0002523 leukocyte migration involved in inflammatory response
GO:0002812 biosynthetic process of antibacterial peptides active against Gram-negative bacteria
GO:0006508 proteolysis
GO:0006874 intracellular calcium ion homeostasis
GO:0006909 phagocytosis
GO:0009411 response to UV
GO:0022617 extracellular matrix disassembly
GO:0030163 protein catabolic process
GO:0032496 response to lipopolysaccharide
GO:0032682 negative regulation of chemokine production
GO:0032717 negative regulation of interleukin-8 production
GO:0032757 positive regulation of interleukin-8 production
GO:0042742 defense response to bacterium
GO:0043406 positive regulation of MAP kinase activity
GO:0048661 positive regulation of smooth muscle cell proliferation
GO:0050728 negative regulation of inflammatory response
GO:0050778 positive regulation of immune response
GO:0050832 defense response to fungus
GO:0050900 leukocyte migration
GO:0050922 negative regulation of chemotaxis
GO:0070269 pyroptotic inflammatory response
GO:0070945 neutrophil-mediated killing of gram-negative bacterium
GO:0070947 neutrophil-mediated killing of fungus
GO:1903238 positive regulation of leukocyte tethering or rolling
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0009986 cell surface
GO:0017053 transcription repressor complex
GO:0030141 secretory granule
GO:0031410 cytoplasmic vesicle
GO:0035578 azurophil granule lumen
GO:0035580 specific granule lumen
GO:0045335 phagocytic vesicle
GO:0062023 collagen-containing extracellular matrix
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:9atu, PDBe:9atu, PDBj:9atu
PDBsum9atu
PubMed
UniProtP08246|ELNE_HUMAN Neutrophil elastase (Gene Name=ELANE)

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