Structure of PDB 4ad3 Chain D Binding Site BS01

Receptor Information
>4ad3 Chain D (length=342) Species: 657309 (Bacteroides xylanisolvens XB1A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDYDTFCFYYDWYGSEAIDGQYRHWAHAIAPDPNGGSGQNPGTIPGTQES
IASNFYPQLGRYSSSDPNILTKHMDMFVMARTGVLALTWWNEQDETEAKR
IGLILDAADKKKIKVCFHLEPYPSRNVQNLRENIVKLITRYGNHPAFYRK
DGKPLFFIYDSYLIEPSEWEKLLSPGGSITIRNTAYDALMIGLWTSSPTV
QRPFILNAHFDGFYTYFAATGFTYGSTPTNWVSMQKWAKENGKIFIPSVG
PGYIDTRIRPWNGSVIRTRTDGQYYDAMYRKAIEAGVSAISITSFNEWHE
GSQIEPAVPYTSEFTYLDYENREPDYYLTRTAYWVGKFRESK
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain4ad3 Chain D Residue 500 [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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PDB4ad3 Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H63 R295 E333 H335 E336
Binding residue
(residue number reindexed from 1)		H27 R259 E297 H299 E300
Annotation score3
Enzymatic activity
Enzyme Commision number 3.2.1.130: glycoprotein endo-alpha-1,2-mannosidase.
Gene Ontology
Molecular Function
GO:0004559 alpha-mannosidase activity
GO:0016787 hydrolase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4ad3, PDBe:4ad3, PDBj:4ad3
PDBsum4ad3
PubMed22219371
UniProtD6D1V7

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