Structure of PDB 8a9y Chain I Binding Site BS01

Receptor Information
>8a9y Chain I (length=903) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVVTGYTTQRKADLTGAVSVVKVDEIQKQGENNPVKALQGRVPGMNITAD
GNPSGSATVRIRGIGTLNNNDPLYIIDGVPTKAGMHELNGNDIESIQVLK
DAASASIYGSRAANGVIIITTKQGKKGQIKINFDASVSASMYQSKMNVLN
TEQYGRAMWQAYVNDGENPNGNALGYAYNWGYNADGNPVLYGMTLSKYLD
SKNTMPVADTDWFDEITRTGVIQQYNLSVSNGSEKGSSFFSLGYYKNLGV
IKDTDFDRFSARMNSDYKLIDDILTIGQHFTLNRTSEVQAPGGIIETALD
IPSAIPVYASDGSWGGPVGGWPDRRNPRAVLEYNKDNRYTYWRMFGDAYV
NLTPFKGFNLRSTFGLDYANKQARYFTYPYQEGTQTNNGKSAVEAKQEHW
TKWMWNAIATYQLEVGKHRGDVMIGMELNREDDSHFSGYKEDFSILTPDY
MWPDAGSGTAQAYGAGEGYSLVSFFGKMNYSYADRYLLSLTLRRDGSSRF
GKNHRYATFPSVSLGWRITQENFMKELTWLDDLKLRASWGQTGNQEISNL
ARYTIYAPNFKRNQIGNDNIKWETTTQTNVGIDFSLFKQSLYGSLEYYYK
KATDILTEMAGVGVLGEGGSRWINSGAMKNQGFEFNLGYRNKTAFGLTYD
LNGNISTYRNEILELPETVAANGKFGGNGVKSVVGHTYGAQVGYIADGIF
KSQDEVDNHATQEGAAVGRIRYRDIDHNGVIDERDQNWIYDPTPSFSYGL
NIYLEYKNFDLTMFWQGVQGVDIISDVKKKSDFWSASNVGFLNKGTRLLN
AWSPTNPNSDIPALTRSDTNNEQRVSTYFVENGSFLKLRNIQLGYTVPAV
ISKKMRMDRLRFYCSAQNLLTIKSKNFTGEDPENPNFSYPIPVNITFGLN
IGF
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8a9y Chain I 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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PDB8a9y Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		D837 D839 N841 V843 D848
Binding residue
(residue number reindexed from 1)		D724 D726 N728 V730 D735
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links