Structure of PDB 8u45 Chain C Binding Site BS01

Receptor Information
>8u45 Chain C (length=282) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALTTQKGAPWGLGSISHKGQASTDYIYDTSAGAGTYAYVVDSGINVNHVE
FESRASLAYNAAGGSHVDSIGHGTHVAGTIGGKTYGVAKKTNLLSVKVFQ
GESSSTSIILDGFNWAVNDIVSKGRTKKAAINMSLGGGYSYAFNNAVENA
FDEGVLSVVAAGNENSDASNTSPASAPNALTVAAINKSNARASFSNYGSV
VDIFAPGQDILSAWIGSTTATNTISGTSMATPHIVGLSVYLMGLENLSGP
AAVTARIKELATNGVVTNVKGSPNKLAYNGNA
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 chain8u45 Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8u45 Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		P298 A300 D323
Binding residue
(residue number reindexed from 1)		P177 A179 D202
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.63: oryzin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:8u45, PDBe:8u45, PDBj:8u45
PDBsum8u45
PubMed37864071
UniProtP28296|ORYZ_ASPFU Alkaline protease 1 (Gene Name=alp1)

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