Structure of PDB 4r2f Chain A Binding Site BS01

Receptor Information
>4r2f Chain A (length=394) Species: 452863 (Pseudarthrobacter chlorophenolicus A6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAIKFWDMPWATPAYNDAAKKIAEGFSGANSKATYQIIQWNNFYQTFSSA
IASKTGPAVSTGGGFQAFQFEEQGQIAYADKVIEKLKSNGQFDDFLPGVV
EPFKTSKGYVAVPWQLDIRPLWYRKSLFEKAGVGVPTDWASLLEAGKKLK
GVGAVGFATGSGAGNNIGNHLMIMMMLNNGGGVFTKDGELDVLNDRNVEA
VEFLLELVSNGVIDPAAVSYTTDNLNAQWKDSKAAYGMLTLGVPERVGDT
SGDIVVASPIAGPHGDKAALIFPNNIMMYTNTPSQEASEEFVVYYLGKLK
ELWQQKLMNALPVFKSITEMPEFTADPNNVKIVNEYVPIAKTFASQGTAL
SANLAALDGGQALNQFTQTVLTGKTDAKSALTAFDTGLKSVLKK
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain4r2f Chain B Residue 1 [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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PDB4r2f Crystal structure of sugar transporter ACHL_0255 from Arthrobacter chlorophenolicus, target EFI-510633
Resolution2.0 Å
Binding residue
(original residue number in PDB)		W94 D171 R173 N219 N220
Binding residue
(residue number reindexed from 1)		W40 D117 R119 N165 N166
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links