Structure of PDB 2rdg Chain A Binding Site BS02

Receptor Information

>2rdg Chain A (length=192) Species: 1280 (Staphylococcus aureus)

VRSQATQDLSEYYNRPYFDLRNLSGYREGNTVTFINHYQQTDVKLEGKDK
DKIKDGNNENLDVFVVREGSGRQADNNSIGGITKTNRTQHIDTVQNVNLL
VSKSTGQHTTSVTSTNYSIYKEEISLKELDFKLRKHLIDKHDLYKTEPKD
SKIRVTMKNGDFYTFELNKKLQTHRMGDVIDGRNIEKIEVNL

Ligand information

• Ligand ID: FUC
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
• InChIKey: SHZGCJCMOBCMKK-SXUWKVJYSA-N
• SMILES:
  CACTVS 3.341: C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)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
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: alpha-L-fucopyranose;
  alpha-L-fucose;
  6-deoxy-alpha-L-galactopyranose;
  L-fucose;
  fucose
• ChEMBL: CHEMBL1232862
• DrugBank: DB04473
• ZINC: ZINC000001532814
• PDB chain: 2rdg Chain B Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2rdg The crystal structure of staphylococcal superantigen-like protein 11 in complex with sialyl Lewis X reveals the mechanism for cell binding and immune inhibition
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): E170 K173
• Binding residue (residue number reindexed from 1): E166 K169
• Annotation score: 4

Gene Ontology

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:2rdg, PDBe:2rdg, PDBj:2rdg
• PDBsum: 2rdg
• PubMed: 18045383
• UniProt: A8E1U5|SLL11_STAAU Superantigen-like protein 11 (Fragment) (Gene Name=sl11)