Structure of PDB 5z6b Chain A Binding Site BS03

Receptor Information

>5z6b Chain A (length=393) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168)

TLRIAWWGGQPRHDYTTKVIELYEKKNPHVHIEAEFANWDDYWKKLAPMS
AAGQLPDVIQMDTAYLAQYGKKNQLEDLTPYTKDGTIDVSSIDENMLSGG
KIDNKLYGFTLGVNVLSVIANEDLLKKAGVSINQENWTWEDYEKLAYDLQ
EKAGVYGSNGMHPPDIFFPYYLRTKGERFYKEDGTGLAYQDDQLFVDYFE
RQLRLVKAKTSPTPDESAQIKGMEDDFIVKGKSAITWNYSNQYLGFARLT
DSPLSLYLPPEQMQEKALTLKPSMLFSIPKSSEHKKEAAKFINFFVNNEE
ANQLIKGERGVPVSDKVADAIKPKLNEEETNIVEYVETASKNISKADPPE
PVGSAEVIKLLKDTSDQILYQKVSPEKAAKTFRKKANEILERN

Ligand information

• Ligand ID: GAL
• 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-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 5z6b Chain B Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5z6b Crystal structure of sugar-binding protein YesO in complex with rhamnogalacturonan trisaccharide
• Resolution: 1.582 Å
• Binding residue (original residue number in PDB): H175 D239 N251 Q255
• Binding residue (residue number reindexed from 1): H162 D226 N238 Q242
• Annotation score: 4

External links

• PDB: RCSB:5z6b, PDBe:5z6b, PDBj:5z6b
• PDBsum: 5z6b
• UniProt: O31518|YESO_BACSU Putative ABC transporter substrate-binding protein YesO (Gene Name=yesO)