Structure of PDB 8aa1 Chain I Binding Site BS06

Receptor Information
>8aa1 Chain I (length=924) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKADLTGAVSVVKVDEIQKQGENNPVKALQGRVPGMNITADGNPSGSATV
RIRGIGTLNNNDPLYIIDGVPTKAGMHELNGNDIESIQVLKDAASASIYG
SRAANGVIIITTKQGKKGQIKINFDASVSASMYQSKMNVLNTEQYGRAMW
QAYVNDGENPNGNALGYAYNWGYNADGNPVLYGMTLSKYLDSKNTMPVAD
TDWFDEITRTGVIQQYNLSVSNGSEKGSSFFSLGYYKNLGVIKDTDFDRF
SARMNSDYKLIDDILTIGQHFTLNRTSEVQAPGGIIETALDIPSAIPVYA
SDGSWGGPVGGWPDRRNPRAVLEYNKDNRYTYWRMFGDAYVNLTPFKGFN
LRSTFGLDYANKQARYFTYPYQEGTQTNNGKSAVEAKQEHWTKWMWNAIA
TYQLEVGKHRGDVMIGMELNREDDSHFSGYKEDFSILTPDYMWPDAGSGT
AQAYGAGEGYSLVSFFGKMNYSYADRYLLSLTLRRDGSSRFGKNHRYATF
PSVSLGWRITQENFMKELTWLDDLKLRASWGQTGNQEISNLARYTIYAPN
YGTTDSFGGQSYGTAYDITGSNGGGVLPSGFKRNQIGNDNIKWETTTQTN
VGIDFSLFKQSLYGSLEYYYKKATDILTEMAGVGVLGEGGSRWINSGAMK
NQGFEFNLGYRNKTAFGLTYDLNGNISTYRNEILELPETVAANGKFGGNG
VKSVVGHTYGAQVGYIADGIFKSQDEVDNHATQEGAAVGRIRYRDIDHNG
VIDERDQNWIYDPTPSFSYGLNIYLEYKNFDLTMFWQGVQGVDIISDVKK
KSDFWSASNVGFLNKGTRLLNAWSPTNPNSDIPALTRSDTNNEQRVSTYF
VENGSFLKLRNIQLGYTVPAVISKKMRMDRLRFYCSAQNLLTIKSKNFTG
EDPENPNFSYPIPVNITFGLNIGF
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 chain8aa1 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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PDB8aa1 Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D837 D839 N841 V843 D848
Binding residue
(residue number reindexed from 1)		D745 D747 N749 V751 D756
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links