Structure of PDB 8cd8 Chain C Binding Site BS02

Receptor Information
>8cd8 Chain C (length=262) Species: 188937 (Methanosarcina acetivorans C2A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RMEIVKIPVVVHVVWNEEEENISDAQIQSQIDILNKDFRKLNSDVSQVPS
VWSNLIADLGIEFFLATKDPNGNQTTGITRTQTSVTFFTTSDEVKFASSG
GEDAWPADRYLNIWVCHVLKSEIGQDILGYAQFPGGPAETDGVVIVDAAF
GTTGTALPPFDKGRTATHEIGHWLNLYHIWGDELRFEDPCSRSDEVDDTP
NQADPNFGAPSYPHVSCSNGPNGDMFMNYMDYVDDKCMVMFTQGQATRVN
ACLDGPRSSFLA
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 chain8cd8 Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cd8 Structural insights into latency of the metallopeptidase ulilysin (lysargiNase) and its unexpected inhibition by a sulfonyl-fluoride inhibitor of serine peptidases.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		W240 E243 P249 Q262 A263
Binding residue
(residue number reindexed from 1)		W180 E183 P189 Q202 A203
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:8cd8, PDBe:8cd8, PDBj:8cd8
PDBsum8cd8
PubMed36857690
UniProtQ8TL28|ULIL_METAC Ulilysin (Gene Name=MA_3214)

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