Structure of PDB 5xya Chain A Binding Site BS01

Receptor Information
>5xya Chain A (length=1358) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLPPVNTDIHDWVKTKGAWDKGYKGQGKVVAVIDTGIDPAHQSMRISDVS
TAKVKSKEDMLARQKAAGINYGSWINDKVVFAHNYVENSDNIKENQFKYE
SHGMHVTGIVAGNSKEAAATGERFLGIAPEAQVMFMRVFANDVMGSAESL
FIKAIEDAVALGADVINLSLGTANGAQLSGSKPLMEAIEKAKKAGVSVVV
AAGNERVYGSDHDDPLATNPDYGLVGSPSTGRTPTSVAAINSKWVIQRLM
TVEELEKRADLNHGKAIYSESVDFKNIKDSLGYDKSHQFAYVKESTDAGY
NAPNKTYDEMIALAKKHGIPSAFISHEFGKAMSQLNGNGTGSLEFDSVVS
KAPSQKGNEMNHFSNWGLTSDGYLKPDITAPGGDIYSTYNDNHYGSQTGT
SMASPQIAGASLLVKQYLEKTQPNLPKEKIADIVKNLLMSNAQIHVNPET
KTTTSPRQQGAGLLNIDGAVTSGLYVTGKDNYGSISLGNITDTMTFDVTV
HNLSNKDKTLRYDTELLTDHVDPQKGRFTLTSRSLKTYQGGEVTVPANGK
VTVRVTMDVSQFTKELTKQMPNGYYLEGFVRFRDSQDDQLNRVNIPFVGF
KGQFENLAVAEESIYRLKSQGKTGFYFDESGPKDDIYVGKHFTGLVTLGS
ETNVSTKTISDNGLHTLGTFKNADGKFILEKNAQGNPVLAISPNGDNNQD
FAAFKGVFLRKYQGLKASVYHASDKEHKNPLWVSPESFKGDKNFNSDIRF
AKSTTLLGTAFSGKSLTGAELPDGYYHYVVSYYPDVVGAKRQEMTFDMIL
DRQKPVLSQATFDPETNRFKPEPLKDRGLAGVRKDSVFYLERKDNKPYTV
TINDSYKYVSVEDNKTFVERQADGSFILPLDKAKLGDFYYMVEDFAGNVA
IAKLGDHLPQTLGKTPIKLKLTDGNYQTKETLKDNLEMTQSDTGLVTNQA
QLAVVHRNQPQSQLTKMNQDFFISPNEDGNKDFVAFKGLENNVYNDLTVN
VYAKDDHQKQTPIWSSQAGAGASAIESTAWYGITARGSKVMPGDYQYVVT
YRDEHGKEHQKQYTISVNDKKPMITQGRFDTINGVDHFTPDKTKALGSSG
IVREEVFYLAKKNGRKFDVTEGKDGITVSDNKVYIPKNPDGSYTISKRDG
VTLSDYYYLVEDRAGNVSFATLRDLKAVGKDKAVVNFGLDLPVPEDKQIV
NFTYLVRDADGKPIENLEYYNNSGNSLILPYGKYTVELLTYDTNAAKLES
DKIVSFTLSADNNFQQVTFKMTMLATSQITAHFDHLLPEGSRVSLKTAQG
QLIPLEQSLYVPKAYGKTVQEGTYEVVVSLPKGYRIEGNTKVNTLPNEVH
ELSLRLVK
Ligand information
Ligand IDAES
InChIInChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKeyMGSKVZWGBWPBTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(F)(=O)c1ccc(cc1)CCN
OpenEye OEToolkits 1.7.6c1cc(ccc1CCN)S(=O)(=O)F
CACTVS 3.370NCCc1ccc(cc1)[S](F)(=O)=O
FormulaC8 H10 F N O2 S
Name4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE;
AEBSF
ChEMBLCHEMBL1096339
DrugBankDB07347
ZINCZINC000008034834
PDB chain5xya Chain A Residue 1701 [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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PDB5xya Structure of ScpC, a virulence protease fromStreptococcus pyogenes, reveals the functional domains and maturation mechanism.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		H279 N381 F579 T614 S617
Binding residue
(residue number reindexed from 1)		H102 N204 F363 T398 S401
Annotation score1
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
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005618 cell wall
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5xya, PDBe:5xya, PDBj:5xya
PDBsum5xya
PubMed30049896
UniProtQ3HV58

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