Structure of PDB 1xf1 Chain B Binding Site BS01

Receptor Information
>1xf1 Chain B (length=926) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDPSQVKTLQEKAGKGAGTVVAVIDAGFDKNHEAWRLTDKTKARYQSKED
LEKAKKEHGITYGEWVNDKVAYYHDYSKDGKTAVDQEHGTHVSGILSGNA
PSETKEPYRLEGAMPEAQLLLMRVEIVNGLADYARNYAQAIRDAINLGAK
VINMSFGNAALAYANLPDETKKAFDYAKSKGVSIVTSAGNDSSFGGKTRL
PLADHPDYGVVGTPAAADSTLTVASYSPDKQLTETVRVKTADQQDKEMPV
LSTNRFEPNKAYDYAYANRGTKEDDFKDVKGKIALIERGDIDFKDKIAKA
KKAGAVGVLIYDNQDKGFPIELPNVDQMPAAFISRKDGLLLKDNPQKTIT
FNATPKVLPTASGTKLSRFSSWGLTADGNIKPDIAAPGQDILSSVANNKY
AKLSGTSMSAPLVAGIMGLLQKQYETQYPDMTPSERLDLAKKVLMSSATA
LYDEDEKAYFSPRQQGAGAVDAKKASAATMYVTDKDNTSSKVHLNNVSDK
FEVTVNVHNKSDKPQELYYQATVQTDKVDGKHFALAPKVLYETSWQKITI
PANSSKQVTVPIDASRFSKDLLAQMKNGYFLEGFVRFKQDPTKEELMSIP
YIGFRGDFGNLSALEKPIYDSKDGSSYYHEANSDAKDQLDGDGLQFYALK
NNFTALTTESNPWTIIKAVKEGVENIEDIESSEITETIFAGTFAKQDDDS
HYYIHRHANGKPYAAISPNGDGNRDYVQFQGTFLRNAKNLVAEVLDKEGN
VVWTSEVTEQVVKNYNNDLASTLGSTRFEKTRWDGKDKDGKVVANGTYTY
RVRYTPISSGAKEQHTDFDVIVDNTTPEVATSATFSTEDRRLTLASKPKT
SQPVYRERIAYTYMDEDLPTTEYISPNEDGTFTLPEEAETMEGATVPLKM
SDFTYVVEDMAGNITYTPVTKLLEGH
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 chain1xf1 Chain B Residue 1110 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xf1 Structure of the streptococcal cell wall C5a peptidase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S822 N824 D826 N828 D830
Binding residue
(residue number reindexed from 1)		S717 N719 D721 N723 D725
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D130 H193 N295 S512
Catalytic site (residue number reindexed from 1) D25 H88 N190 S407
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1xf1, PDBe:1xf1, PDBj:1xf1
PDBsum1xf1
PubMed16344483
UniProtP15926|C5AP_STRPY C5a peptidase (Gene Name=scpA)

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