Structure of PDB 5a0a Chain E

Receptor sequence
>5a0aE (length=216) Species: 9606 (Homo sapiens) [Search protein sequence]
IVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRA
VRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVILQLNGSATI
NANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRGIASVLQELNVTVVTSLC
RRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDA
FAPVAQFVNWIDSIIQ
3D structure
PDB5a0a Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChainE
Resolution1.78 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) F192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) F168 G169 D170 S171 G172
Enzyme Commision number 3.4.21.37: leukocyte elastase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 FUC E W27 Q135 L137 V200 C201 N202 G207 W12 Q121 L123 V176 C177 N178 G179
BS02 JJS E H57 Y94 L99 D102 V190 C191 F192 D194 S195 A213 S214 F215 V216 H41 Y80 L85 D88 V166 C167 F168 D170 S171 A185 S186 F187 V188 MOAD: Ki=15nM
PDBbind-CN: -logKd/Ki=7.70,IC50=20nM
BindingDB: IC50=15nM,Ki=15nM
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:5a0a, PDBe:5a0a, PDBj:5a0a
PDBsum5a0a
PubMed26083237
UniProtP08246|ELNE_HUMAN Neutrophil elastase (Gene Name=ELANE)

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