Structure of PDB 8te9 Chain A Binding Site BS01

Receptor Information
>8te9 Chain A (length=308) Species: 207559 (Oleidesulfovibrio alaskensis G20) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRINIRLAHPMAPGNNVTVGYEKFKELVAEKSNGRVRIQLFGNCMLGSDR
VTMEAAQRGTLEMASSSSPNMANFSKQWMVFDLPYITSPEHQQKLYKAID
DGELGKKLDEIAASIGLKPIMYSEYGYRNFVTTKKPIKTADDLKNLKVRT
TDSPIEVAVAAALGMAPTPISWGETYTALQQGTVDGEGNTFSLLNDAKHT
EVLKYAIDSAHNYSMHLLMMNKAYYDSLPANVQQILTEAGREALTYQRSI
TSELEKKAEDAFIEQGITVTRLSPEERAKLVERTRPVWDKFKDDIPAELI
KLVQETQQ
Ligand information
Ligand ID8X3
InChIInChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)
InChIKeySUMDYPCJJOFFON-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OCC[S](O)(=O)=O
OpenEye OEToolkits 2.0.6C(CS(=O)(=O)O)O
FormulaC2 H6 O4 S
Name2-hydroxyethylsulfonic acid;
2-oxidanylethanesulfonic acid
ChEMBL
DrugBank
ZINCZINC000003875755
PDB chain8te9 Chain A Residue 401 [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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PDB8te9 Crystal structure of an isethionate substrate-binding protein (IseP) bound to isethionate
Resolution1.25 Å
Binding residue
(original residue number in PDB)		P38 M39 D77 S95 N98 Y153 R156 R177 T179 W200 H244
Binding residue
(residue number reindexed from 1)		P10 M11 D49 S67 N70 Y125 R128 R149 T151 W172 H216
Annotation score5
External links
PDB RCSB:8te9, PDBe:8te9, PDBj:8te9
PDBsum8te9
PubMed
UniProtQ312S0|DCTP_OLEA2 Isethionate-binding periplasmic protein DctP (Gene Name=dctP)

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