Structure of PDB 8cdb Chain I Binding Site BS02

Receptor Information
>8cdb Chain I (length=306) Species: 188937 (Methanosarcina acetivorans C2A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTQRRCGAMEVHHRLLRSASYVRERDQIENLALKYKQGFRAISRMEIVKI
PVVVHVVWNEEEENISDAQIQSQIDILNKDFRKLNSDVSQVPSVWSNLIA
DLGIEFFLATKDPNGNQTTGITRTQTSVTFFTTSDEVKFASSGGEDAWPA
DRYLNIWVCHVLKSEIGQDILGYAQFPGGPAETDGVVIVDAAFGTTGTAL
PPFDKGRTATHAIGHWLNLYHIWGDELRFEDPCSRSDEVDDTPNQADPNF
GCPSYPHVSCSNGPNGDMFMNYMDYVDDKCMVMFTQGQATRVNACLDGPR
SSFLAR
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 chain8cdb Chain I Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cdb Structural insights into latency of the metallopeptidase ulilysin (lysargiNase) and its unexpected inhibition by a sulfonyl-fluoride inhibitor of serine peptidases.
Resolution4.5 Å
Binding residue
(original residue number in PDB)		D254 V256 T259
Binding residue
(residue number reindexed from 1)		D237 V239 T242
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:8cdb, PDBe:8cdb, PDBj:8cdb
PDBsum8cdb
PubMed36857690
UniProtQ8TL28|ULIL_METAC Ulilysin (Gene Name=MA_3214)

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