Structure of PDB 7z9f Chain A Binding Site BS01

Receptor Information
>7z9f Chain A (length=99) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGYICEENSVPYQVSLNSGYHFCGGSLISEQWVVSAGHCYKSRIQVRL
GEHNIEVLEGNEQFINAAKIIRHPKYNSRTLDNDILLIKLSSPAVINSR
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 chain7z9f Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7z9f Structural Basis of the Pancreatitis-Associated Autoproteolytic Failsafe Mechanism in Human Anionic Trypsin.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E75 N77 V80 E85
Binding residue
(residue number reindexed from 1)		E52 N54 V57 E62
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.4: trypsin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:7z9f, PDBe:7z9f, PDBj:7z9f
PDBsum7z9f
PubMed35775010
UniProtP07478|TRY2_HUMAN Trypsin-2 (Gene Name=PRSS2)

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