Structure of PDB 5t3r Chain D Binding Site BS01

Receptor Information
>5t3r Chain D (length=806) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIKINFDASVSASMYQSKMNVLNTEQYGRAMWQAYVNDGENPNGNALGYA
YNWGYNADGNPVLYGMTLSKYLDSKNTMPVADTDWFDEITRTGVIQQYNL
SVSNGSEKGSSFFSLGYYKNLGVIKDTDFDRFSARMNSDYKLIDDILTIG
QHFTLNRTSEVQAPGGIIETALDIPSAIPVYASDGSWGGPVGGWPDRRNP
RAVLEYNKDNRYTYWRMFGDAYVNLTPFKGFNLRSTFGLDYANKQARYFT
YPYQEGTQTNNGKSAVEAKQEHWTKWMWNAIATYQLEVGKHRGDVMIGME
LNREDDSHFSGYKEDFSILTPDYMWPDAGSGTAQAYGAGEGYSLVSFFGK
MNYSYADRYLLSLTLRRDGSSRFGKNHRYATFPSVSLGWRITQENFMKEL
TWLDDLKLRASWGQTGNQEISNLARYTIYAPNYGTTDSFGGQSYGTAYDI
TGSNGGGVLPSGFKRNQIGNDNIKWETTTQTNVGIDFSLFKQSLYGSLEY
YYKKATDILTEMAGVGVLGEGGSRWINSGAMKNQGFEFNLGYRNKTAFGL
TYDLNGNISTYRNEILELPETVAANGKFGGNGVKSVVGHTYGAQVGYIAD
GIFKSQDEVDNHATQEGAAVGRIRYRDIDHNGVIDERDQNWIYDPTPSFS
YGLNIYLEYKNFDLTMFWQGVQGVDIISDVKKKSDFWSASNVGFLNKGTR
LLNAWSPTNPNSDIPALTRSDTNNEQRVSTYFVENGSFLKLRNIQLGYTV
PAVISKKMRMDRLRFYCSAQNLLTIKSKNFTGEDPENPNFSYPIPVNITF
GLNIGF
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 chain5t3r Chain D 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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PDB5t3r Structural basis for nutrient acquisition by dominant members of the human gut microbiota.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D837 D839 N841 V843 I844 D848
Binding residue
(residue number reindexed from 1)		D627 D629 N631 V633 I634 D638
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links