Structure of PDB 4ad5 Chain A Binding Site BS04

Receptor Information
>4ad5 Chain A (length=348) Species: 657309 (Bacteroides xylanisolvens XB1A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLGTELDYDTFCFYYDWYGSEAIDGQYRHWAHAIAPDPNGGSGQNPGTIP
GTQESIASNFYPQLGRYSSSDPNILTKHMDMFVMARTGVLALTWWNEQDE
TEAKRIGLILDAADKKKIKVCFHLEPYPSRNVQNLRENIVKLITRYGNHP
AFYRKDGKPLFFIYDSYLIEPSEWEKLLSPGGSITIRNTAYDALMIGLWT
SSPTVQRPFILNAHFDGFYTYFAATGFTYGSTPTNWVSMQKWAKENGKIF
IPSVGPGYIDTRIRPWNGSVIRTRTDGQYYDAMYRKAIEAGVSAISITSF
NEWHEGSQIEPAVPYTSSEFTYLDYENREPDYYLTRTAYWVGKFRESK
Ligand information
Ligand IDDMJ
InChIInChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyLXBIFEVIBLOUGU-KVTDHHQDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
ACDLabs 10.04OC1C(NCC(O)C1O)CO
OpenEye OEToolkits 1.5.0C1C(C(C(C(N1)CO)O)O)O
CACTVS 3.341OC[CH]1NC[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O
FormulaC6 H13 N O4
Name1-DEOXYMANNOJIRIMYCIN
ChEMBLCHEMBL84844
DrugBankDB03955
ZINCZINC000003995890
PDB chain4ad5 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ad5 Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y46 H154 E156 Y195 Y252 E333 E336
Binding residue
(residue number reindexed from 1)		Y15 H123 E125 Y164 Y221 E302 E305
Annotation score1
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:4ad5, PDBe:4ad5, PDBj:4ad5
PDBsum4ad5
PubMed22219371
UniProtD6D1V7

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