Structure of PDB 6vjb Chain A Binding Site BS01

Receptor Information
>6vjb Chain A (length=1346) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLPPVNTDVHDWVKTKGAWDKGYKGQGKVVAVIATGIDPAHQSMRISDVS
TAKVKSKEDMLARQKAAGINYGSWINDKVVFAHNYVENSDNIKENQDTKY
ESHGMHVTGIVAGNSKEAAATGERFLGIAPEAQVMFMRVFANDIMGSAES
LFIKAIEDAVALGADVINLSLGTANGAQLSGSKPLMEAIEKAKKAGVSVV
VAAGNERVYGSDHDDPLATNPDYGLVGSPSTGRTPTSVAAINSKWVIQRL
MTVKELENRADLNHGKAIYSESVDFKDIKDSLGQFAYVKESTDAGIALIE
RDPNKTYDEMIALAKKHGLGVLIFNNKPGQSNRSMRFISHEFGKAMSQLN
GNGTGSLEFDSVVSKAPSQKGNEMNHFSNWGLTSDGYLKPDITAPGGDIY
STYNDNHYGSQTGTAMASPQIAGASLLVKQYLEKTQPNLPKEKIADIVKN
LLMSNAQIHVNPETKTTTSPRQQGAGLLNIDGAVTSGLYVTGKDNYGSIS
LGNITDTMTFDVTVHNLSNKDKTLRYDTELLTDHVDPQKGRFTLTSHSLK
TYQGGEVTVPANGKVTVRVTMDVSQFTKELTKQMPNGYYLEGFVRFRDSQ
DDQLNRVNIPFVGFKGQFENLAVAEESIYRLKSQGKTGFYFDESGPKDDI
YVGKHFTGLVTLGSETNVSTKTISDNGLHTLGTFKNADGKFILEKNAQGN
PVLAISPNGDNNQDFAAFKGVFLRKYQGLKASVYHASDKEHKNPLWVSPE
SFKGDKNFNSDIRFAKSTTLLGTAFSGKSLTGAELPDGHYHYVVSYYPDV
VGAKRQEMTFDMILDRQKPVLSQATFDPETNRFKPEPLKDRGLAGVRKDS
VFYLERKDNKPYTVTINDSYKYVSVEDNKTFVERQADGSFILPLDKAKLG
DFYYMVEDFAGNVAIAKLGDHLPTPIKLKLTDGNYQTKETLKDNLEMTQS
DTGLVTNQAQLAVVHRNQPQSQLTKMNQDFFISPNEDGNKDFVAFKNNVY
NDLTVNVYAKDDHQKQTPIWSSQAGASVSAIESTAWYGITARGSKVMPGD
YQYVVTEHQKQYTISVNDKKPMITQGRFDTINGVDHFTPDKTLDSSGIVR
EEVFYLAKKNGRKFDVTEGITVSDNKVYIPKNPDGSYTISKRDGVTLSDY
YYLVEDRAGNVSFATLRDLKAVGKDKAVVNFGLDLFTYLVRDADGKPIEN
LEYYNNSGNSLILPYGKYTVELLTYDTNAAKLESDKIVSFTLSADNNFQQ
VTFKITMLATSQITAHFDHLLPEGSRVSLKTAQDQLIPLEQSLYVPKAYG
KTVQEGTYEVVVSLPKGYRIEGNTKVNTLPNEVHELSLRLVKVGDA
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 chain6vjb Chain A Residue 1705 [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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PDB6vjb Structure, dynamics and immunogenicity of a catalytically inactive CXC chemokine-degrading protease SpyCEP from Streptococcus pyogenes.
Resolution2.24 Å
Binding residue
(original residue number in PDB)		S1190 N1192 D1194 N1196 K1197 D1198
Binding residue
(residue number reindexed from 1)		S983 N985 D987 N989 K990 D991
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
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:6vjb, PDBe:6vjb, PDBj:6vjb
PDBsum6vjb
PubMed32257048
UniProtQ9A180

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