Structure of PDB 4w86 Chain A Binding Site BS01

Receptor Information
>4w86 Chain A (length=339) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRSRVFDILSNINIGWNLGNTLDATGGGNSVNAETSWGNPKTTQEIVDTV
NDRGFNAIRIPVTFANHLGPAPEYTISADWLARVKEVVDYAVNDGMYIIL
DTHHETNYWLKTDPNNEAALCEELAAIWKQLAEAFKDYDEKLMFEGMNEP
RMAGSAKEWSGGTPAERKLINAMNKAFIDAVRATGGNNADRVLIICTYGH
NSDEPTLKDLEIPSDPNIAVALHTYTPYFFTYVADGSYSVWNGSKKNDIT
WQYNNIKKYLIDKGIPVVITETGAQFKENTEDIVRWIGDYVGTLDQDGVK
CFIWDNNIYHGNGEKFGLLNRSLLKWYNDDIVDAYVNHA
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 chain4w86 Chain A Residue 502 [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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PDB4w86 Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		E240 Y319
Binding residue
(residue number reindexed from 1)		E149 Y228
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.151: xyloglucan-specific endo-beta-1,4-glucanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4w86, PDBe:4w86, PDBj:4w86
PDBsum4w86
PubMed25714929
UniProtD2K7Z0

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