Structure of PDB 8bty Chain A Binding Site BS02

Receptor Information
>8bty Chain A (length=934) Species: 1311 (Streptococcus agalactiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSKATIRDLNDPSQVKTLQEKAGKGAGTVVAVIDAGFDKNHEAWRLTDKT
KARYQSKEDLEKAKKEHGITYGEWVNDKVAYYHDYSKDGKTAVDQEHGTH
VSGILSGNAPSETKEPYRLEGAMPEAQLLLMRVEIVNGLADYARNYAQAI
RDAINLGAKVINMSFGNAALAYANLPDETKKAFDYAKSKGVSIVTSAGND
SSFGGKTRLPLADHPDYGVVGTPAAADSTLTVASYSPDKQLTETVRVKTA
QDKEMPVLSTNRFEPNKAYDYAYANRGTKEDDFKDVKGKIALIERGDIDF
KDKIAKAKKAGAVGVLIYDNQDKGFPIELPNVDQMPAAFISRKDGLLLKD
NPQKTITFNATPKVLPTASGTKLSRFSSWGLTADGNIKPDIAAPGQDILS
SVANNKYAKLSGTSMSAPLVAGIMGLLQKQYETQYPDMTPSERLDLAKKV
LMSSATALYDEDEKAYFSPRQQGAGAVDAKKASAATMYVTDKDNTSSKVH
LNNVSDKFEVTVNVHNKSDKPQELYYQATVQTDKVDGKHFALAPKVLYEA
SWQKITIPANSSKQVTVPIDASRFSKDLLAQMKNGYFLEGFVRFKQDPKK
EELMSIPYIGFRGDFGNLSALEKPIYDSKDGSSYYHEANSDAKDQLDGDG
LQFYALKNNFTALTTESNPWTIIKAVKEGVENIEDIESSEITETILAGTF
AKQDDDSHYYIHRHANGKPYAAISPNGDGNRDYVQFQGTFLRNAKNLVAE
VLDKEGNVVWTSEVTEQVVKNYNNDLASTLGSTRFEKTRWDGKDKDGKVV
ANGTYTYRVRYTPISSGAKEQHTDFDVIVDNTTPEVATSATFSTEDRRLT
LASKPKTSQPVYRERIAYTYMDEDLPTTEYISPNEDGTFTLPEEAETTEG
ATVPLKMSDFTYVVEDMAGNITYTPVTKLLEGHS
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 chain8bty Chain A Residue 1103 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8bty The 1.7 angstrom crystal structure of the C5a peptidase from Streptococcus agalactiae (ScpB) reveals an active site competent for catalysis.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		S822 N824 D826 N828 D830
Binding residue
(residue number reindexed from 1)		S724 N726 D728 N730 D732
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.110: C5a peptidase.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005618 cell wall
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8bty, PDBe:8bty, PDBj:8bty
PDBsum8bty
PubMed37921533
UniProtQ53637

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