Structure of PDB 4ad3 Chain B Binding Site BS02

Receptor Information
>4ad3 Chain B (length=346) Species: 657309 (Bacteroides xylanisolvens XB1A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TELDYDTFCFYYDWYGSEAIDGQYRHWAHAIAPDPNGGSGQNPGTIPGTQ
ESIASNFYPQLGRYSSSDPNILTKHMDMFVMARTGVLALTWWNEQDETEA
KRIGLILDAADKKKIKVCFHLEPYPSRNVQNLRENIVKLITRYGNHPAFY
RKDGKPLFFIYDSYLIEPSEWEKLLSPGGSITIRNTAYDALMIGLWTSSP
TVQRPFILNAHFDGFYTYFAATGFTYGSTPTNWVSMQKWAKENGKIFIPS
VGPGYIDTRIRPWNGSVIRTRTDGQYYDAMYRKAIEAGVSAISITSFNEW
HEGSQIEPAVPYTSSEFTYLDYENREPDYYLTRTAYWVGKFRESKQ
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 chain4ad3 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4ad3 Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y46 H154 E156 Y195 Y252 E333 E336
Binding residue
(residue number reindexed from 1)		Y12 H120 E122 Y161 Y218 E299 E302
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:4ad3, PDBe:4ad3, PDBj:4ad3
PDBsum4ad3
PubMed22219371
UniProtD6D1V7

[Back to BioLiP]