Structure of PDB 7puk Chain A Binding Site BS04

Receptor Information

>7puk Chain A (length=425) Species: 1351 (Enterococcus faecalis)

EKHFMVYYRAWRDKTMQGVNTTLPDENWLTMHDIPYGIDIVNVFSYVPKG
QEALAQPFYDTLKNEYAPALHARGVRLVRGIDYSELLKVPYAGTTPTEAE
FDAYAKELLTKFVDDLGIDGLDIDMETRPSEKDIVLSNGVIRALSKYIGP
KSGTDRPFLYDTNAEYLPPLQDVSDCFDFLAYQQYGSDDKRTQRALNNLS
PVLNGERFVPGLTFPEEQDRNRWYDTKEPYMESNMYKVARYSYENNLGGM
FLYALDRDGRTYNEDDLNQIKPSNLLWTKTAIAESKGVSLAEMKAAAQHY
LKRISYANTDLEAQNKAAETVTQATTLYDVNKAILGGDYGQGLSNTYDAE
LEKGLLAIDLTTLYRALDQAVAAIEKAESYTPETIQALQTTKESVATELA
GKTYTAAQVTTWQTEVQTALDNLKE

Ligand information

• Ligand ID: MAN
• 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-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(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
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 7puk Chain B Residue 5

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7puk Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE.
• Resolution: 2.69 Å
• Binding residue (original residue number in PDB): S105 Y106 R139 G140 D142 E145
• Binding residue (residue number reindexed from 1): S45 Y46 R79 G80 D82 E85
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.52: beta-N-acetylhexosaminidase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:7puk, PDBe:7puk, PDBj:7puk
• PDBsum: 7puk
• PubMed: 35241669
• UniProt: Q839P8