Structure of PDB 4boj Chain C Binding Site BS01

Receptor Information

>4boj Chain C (length=344) Species: 1397 (Niallia circulans)

PLGAYTASDGDTAMKAFNDTFWDPNAKMFWKDSKREKHQDAWVEAELWEL
VMDAYQHTSDPALKAELKTQIDDVYDGTVAKYGQDWTNNPFNDDIMWWAM
GSARAYQITGNPRYLEAARDHFDFVYDTQWDEEFANGGIWWLNSDHNTKN
ACINFPAAQAALYLYDITKDEHYLNAATKIFRWGKTMLTDGNGKVFDRIE
IEHGAVPDATHYNQGTYIGSAVGLYKATGNAVYLDDAVKAAKFTKNHLVD
SNGVLNYEGPNGDLKGGKTILMRNLAHLQKTLDETGQYPEFSAEFDEWLA
FNIEMAWSHRNSDHIVDGNWAGQLLSGTYESWSSAAAVQALNGI

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: 4boj Chain F Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4boj The Structure of B. Circulans Aman6 Defines the Fold and Mechanism of the Gh-76 Mannoprotein Transglycosylases and Bacterial Mannosidases
• Resolution: 1.379 Å
• Binding residue (original residue number in PDB): W172 N181 C183 D228 Y243
• Binding residue (residue number reindexed from 1): W141 N150 C152 D197 Y212
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:4boj, PDBe:4boj, PDBj:4boj
• PDBsum: 4boj
• UniProt: Q9Z4P9