Structure of PDB 7esn Chain A Binding Site BS01

Receptor Information
>7esn Chain A (length=435) Species: 5507 (Fusarium oxysporum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EAEFLTVKSTKQWTIGTDVQGSERLNGVSYQEDALITYGDYQYVTFYETA
PAGYLNHFVKVGRRRVSPSVGDWEFLTLDDYTQKTMDGHNMISMGISGDG
KIHLSFDHFDVPINYRISKNGIAKDVPSKWTSDLFDPVVHELVGSQGPYS
PLTYPRFEPLGNGDLLLEFRIGQSGSGDSYIHRYSASTGKWQAYGMYIQG
DDNNAYINGLDYLDGKLYTSWTVRETPNADTNHGVYFAYSNDDGKTWFNT
NDTKLTKPISTSDDSTLIWDIPQNSRMVNQEGQLIDTKGRFHILMRDLLS
GEHQYQHYLRKADGTWTKNAINPAGLNGPDLYDPRGKLAGDASGEYLFGI
LPDPVKQSTGIYVATASKDFKDWKSLAEIPNTSTEPLFDKTRLHESGILS
VFVRQAGGFPDRKLQVWDFELDLLEQKLISEEDLN
Ligand information
Ligand IDBDP
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
InChIKeyAEMOLEFTQBMNLQ-QIUUJYRFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.7.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.370O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.370O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
FormulaC6 H10 O7
Namebeta-D-glucopyranuronic acid;
beta-D-glucuronic acid;
D-glucuronic acid;
glucuronic acid
ChEMBLCHEMBL1159524
DrugBankDB03156
ZINCZINC000004097543
PDB chain7esn Chain H 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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PDB7esn Structural and functional analysis of gum arabic l-rhamnose-alpha-1,4-d-glucuronate lyase establishes a novel polysaccharide lyase family.
Resolution2.42 Å
Binding residue
(original residue number in PDB)		H85 F105 Y150 R166 S170 Y202 R220 P223
Binding residue
(residue number reindexed from 1)		H89 F109 Y154 R170 S174 Y206 R224 P227
Annotation score4
External links