Structure of PDB 4ad5 Chain A Binding Site BS03

Receptor Information

>4ad5 Chain A (length=348) Species: 657309 (Bacteroides xylanisolvens XB1A)

NLGTELDYDTFCFYYDWYGSEAIDGQYRHWAHAIAPDPNGGSGQNPGTIP
GTQESIASNFYPQLGRYSSSDPNILTKHMDMFVMARTGVLALTWWNEQDE
TEAKRIGLILDAADKKKIKVCFHLEPYPSRNVQNLRENIVKLITRYGNHP
AFYRKDGKPLFFIYDSYLIEPSEWEKLLSPGGSITIRNTAYDALMIGLWT
SSPTVQRPFILNAHFDGFYTYFAATGFTYGSTPTNWVSMQKWAKENGKIF
IPSVGPGYIDTRIRPWNGSVIRTRTDGQYYDAMYRKAIEAGVSAISITSF
NEWHEGSQIEPAVPYTSSEFTYLDYENREPDYYLTRTAYWVGKFRESK

Ligand information

• Ligand ID: GLC
• InChI: InChI=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
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 4ad5 Chain A Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ad5 Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): W48 H63 W126 R295 E333 H335 E336
• Binding residue (residue number reindexed from 1): W17 H32 W95 R264 E302 H304 E305
• Annotation score: 3

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

External links

• PDB: RCSB:4ad5, PDBe:4ad5, PDBj:4ad5
• PDBsum: 4ad5
• PubMed: 22219371
• UniProt: D6D1V7