Structure of PDB 7bj3 Chain A Binding Site BS01

Receptor Information
>7bj3 Chain A (length=936) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSKATIRDLNDPSQVKTLQEKAGKGAGTVVAVIDAGFDKNHEAWRLTDKT
KARYQSKEDLEKAKKEHGITYGEWVNDKVAYYHDYSKDGKTAVDQEHGTH
VSGILSGNAPSETKEPYRLEGAMPEAQLLLMRVEIVNGLADYARNYAQAI
RDAVNLGAKVINMSFGNAALAYANLPDETKKAFDYAKSKGVSIVTSAGND
SSFGGKTRLPLADHPDYGVVGTPAAADSTLTVASYSPDKQLTETATVKTD
DHQAKEMPVLSTNRFEPNKAYDYAYANRGMKEDDFKDVKGKIALIERGDI
DFKDKIANAKKAGAVGVLIYDNQDKGFPIELPNVDQMPAAFISRKDGLLL
KDNSKKTITFNATPKVLPTASDTKLSRFSSWGLTADGNIKPDIAAPGQDI
LSSVANNKYAKLSGTAMSAPLVAGIMGLLQKQYETQYPDMTPSERLDLAK
KVLMSSATALYDEDEKAYFSPRQQGAGAVDAKKASAATMYVTDKDNTSSK
VHLNNVSDKFEVTVTVHNKSDKPQELYYQATVQTDKVDGKHFALAPKALY
ETSWQKITIPANSSKQVTVPIDASRFSKDLLAQMKNGYFLEGFVRFKQDP
KKEELMSIPYIGFRGDFGNLSALEKPIYDSKDGSSYYHEANSDAKDQLDG
DGLQFYALKNNFTALTTESNPWTIIKAVKEGVENIEDIESSEITETIFAG
TFAKQDDDSHYYIHRHANGKPYAAISPNGDGNRDYVQFQGTFLRNAKNLV
AEVLDKEGNVVWTSEVTEQVVKNYNNDLASTLGSTRFEKTRWDGKDKDGK
VVVNGTYTYRVRYTPISSGAKEQHTDFDVIVDNTTPEVATSATFSTEDRR
LTLASKPKTSQPIYRERIAYTYMDEDLPTTEYISPNEDGTFTLPEEAETM
EGGTVPLKMSDFTYVVEDMAGNITYTPVTKLLEGHS
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 chain7bj3 Chain A Residue 1101 [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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PDB7bj3 Enzyme kinetic and binding studies identify determinants of specificity for the immunomodulatory enzyme ScpA, a C5a inactivating bacterial protease.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		S822 N824 D826 N828 D830
Binding residue
(residue number reindexed from 1)		S726 N728 D730 N732 D734
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7bj3, PDBe:7bj3, PDBj:7bj3
PDBsum7bj3
PubMed33897974
UniProtP58099|C5AP_STRP1 C5a peptidase (Gene Name=scpA)

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