Structure of PDB 8wgo Chain B Binding Site BS01

Receptor Information
>8wgo Chain B (length=860) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFNLEHPFFFTNNDYSTDTSIKYQASLPFNWHEVMNNDEWVYQYPIGKFV
ERQGWKIHISSEYNSSHELLQDVAKICHEMRIPFKHLSTEDKFIMRNGKL
VSRGFSGKFITCYPNQNELESVLQRLESALKQYNGPYILSDKRWDEAPIY
LRYGVFRPSRDDEKKVAIDELIVGDEVVKDERLPVFKIPKGIVPPDFLNK
WLDGDFPFIIDNAIRFSNSGGIYNARLKEDGKKIILKEARPYTGLGFDGT
YSSEKLASECKALKILNEWSEAPKIYWHGKIWEHTFLGIEHMKGVPLNRW
VTNNFPLYEVVDKTKDYLLRVSKIVEKLIDLTNKFHSENVYHQDLHLGNI
LVKDEDEISIIDWEQAVFSNDEKVVHKVAAPGFRAWRETLPSEIDWYGIR
QIAHYLYMPLVTTSDLTYNYVSQTRIEGKKLFESLGYTREHIDYVESLLS
YLDSKCPQIENISRKKVLKPMHEIRTIESEQDIQDFIIKLLRGFTLTYGQ
WRKEFQSRFFPVHYYGLNFNQGIAFSDLAILWSYQQLAKKVKNFKFDDYY
EIRTQVINEAVNNFKKSSLSGLFDGKIGTIWLIYEFGEIDRAVELFTTHF
IEIFENSQNKNLYSGQAGILLVGLYFLSKGEIDNKLGEEILIRLREYTLN
YIENPETFCKVGASDVQSNDPYENFGGLLYGHAGVAWLFGEAYKLTGESI
YKNGLELAVDKELVAYKVDSNNSLQYSQGHRLLPYLATGSAGLLLLINRN
KEILSSKYLKYLTSLERATDVVFCVLPGLFNGFCGLEVANNIYSDIDDNF
SGQKKLIEQLYRYLCVIEEGFVIAGDNGLKITTDIASGFAGVAIGLVSIM
DNKLTILPQI
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain8wgo Chain B Residue 901 [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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PDB8wgo Mechanistic insights into lanthipeptide modification by a distinct subclass of LanKC enzyme that forms dimers.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		K59 K111
Binding residue
(residue number reindexed from 1)		K56 K108
Annotation score3
External links