Structure of PDB 4v28 Chain A Binding Site BS03

Receptor Information

>4v28 Chain A (length=349) Species: 657309 (Bacteroides xylanisolvens XB1A)

NNLGTELDYDTFCFYYDWYGSEAIDGQYRHWAHAIAPDPNGGSGQNPGTI
PGTQESIASNFYPQLGRYSSSDPNILTKHMDMFVMARTGVLALTWWNEQD
ETEAKRIGLILDAADKKKIKVCFHLEPYPSRNVQNLRENIVKLITRYGNH
PAFYRKDGKPLFFIYDSYLIEPSEWEKLLSPGGSITIRNTAYDALMIGLW
TSSPTVQRPFILNAHFDGFYTYFAATGFTYGSTPTNWVSMQKWAKENGKI
FIPSVGPGYIDTRIRPWNGSVIRTRTDGQYYDAMYRKAIEAGVSAISITS
FNQWHEGSQIEPAVPYTSSEFTYLDYENREPDYYLTRTAYWVGKFRESK

Ligand information

• Ligand ID: 4MU
• InChI: InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
• InChIKey: HSHNITRMYYLLCV-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=C2Oc1cc(O)ccc1C(=C2)C
  OpenEye OEToolkits 1.5.0: CC1=CC(=O)Oc2c1ccc(c2)O
  CACTVS 3.341: CC1=CC(=O)Oc2cc(O)ccc12
• Formula: C10 H8 O3
• Name: 7-hydroxy-4-methyl-2H-chromen-2-one;
  4-methylumbelliferone
• ChEMBL: CHEMBL12208
• DrugBank: DB07118
• ZINC: ZINC000000058121
• PDB chain: 4v28 Chain A Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4v28 Structural and Kinetic Dissection of the Endo-Alpha-1,2-Mannanase Activity of Bacterial Gh99 Glycoside Hydrolases from Bacteroides Spp.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): F253 F258 Y289
• Binding residue (residue number reindexed from 1): F223 F228 Y259
• Annotation score: 1

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:4v28, PDBe:4v28, PDBj:4v28
• PDBsum: 4v28
• PubMed: 25487964
• UniProt: D6D1V7