Structure of PDB 4wts Chain A Binding Site BS02

Receptor Information
>4wts Chain A (length=266) Species: 1031333 (Rhizomucor miehei CAU432) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSQTFYGINYGVNENSCPTVDSMKNDFNVLKPYTNRVRTFALSVCNQASL
ALAATQALGMRIYLGMWIDRPDTFDNEMNALKNILANNDVSNVDGLIVGS
EVLYRGDTDPQSLANYIKQVKELVAPHGIKVATADVYYKFPEVVVKELDF
LMMNAFPYWEGVTIDNAADTLMSHYDQVVGASLGKPVKISATGWPSAGGN
FQSSVASVENENKYLHDVLCRVKQRNIDLLYFSAFDEPYRGGVEAHFGVL
GSDRNTKPGITIEAGC
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 chain4wts Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wts The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		W65 E235 R238
Binding residue
(residue number reindexed from 1)		W67 E237 R240
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016787 hydrolase activity
GO:0042973 glucan endo-1,3-beta-D-glucosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0071555 cell wall organization
Cellular Component
GO:0005576 extracellular region
GO:0009277 fungal-type cell wall
GO:0009986 cell surface

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4wts, PDBe:4wts, PDBj:4wts
PDBsum4wts
PubMed26249352
UniProtA0A0M3KKZ8

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