Structure of PDB 4xlf Chain A Binding Site BS01

Receptor Information

>4xlf Chain A (length=599) Species: 155148 (Enterobacteria phage HK620)

PDQFRAIIESPEGAGHVGYQYRRNTGSTMRMVSDVLDERVSLWDFHCDPS
GNVIQPGPNVDSRQYLQAAIDYVSSNGGGTITIPAGYTWYLGSYGVGGIA
GHSGIIQLRSNVNLNIEGRIHLSPFFDLKPFQVFVGFDNGDPASSGNLEN
CHIYGHGVVDFGGYEFGASSQLRNGVAFGRSYNCSVTGITFQNGDVTWAI
TLGWNGYGSNCYVRKCRFINLVNSSVNANHSTVYVNCPYSGVESCYFSMS
SSFARNIACSVALHQHDTFYRGSTVNGYCRGAYVVMHAAEAAGAGSYAYN
MQVENNIAVIYGQFVILGSDVTATVSGHLNDVIVSGNIVSIGERAAFSAP
FGAFIDIGPDNSGASNVQDIQRVLVTGNSFYAPANITDSAAITLRANLNG
CTFIANNFDCRYMVYNAPGTTSPVVQNLVWDKSNVIGGTHANQRAGQNLF
DMQFASVVNSTIEVQLSCEDLSMFSCILFPASCQLSYSKITVDSAWTKSM
SNTAVFEGNQQAGANVYVSYPATVNLTSYNTQGAVPFFSTDTNYAWVTSA
YSLSINENLDFSPPATYTNKANGQLVGVGYNEIGGVRSVSVRLMLQRQV

Ligand information

• Ligand ID: RAM
• 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-HGVZOGFYSA-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: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(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-rhamnopyranose;
  alpha-L-rhamnose;
  6-deoxy-alpha-L-mannopyranose;
  L-rhamnose;
  rhamnose
• ZINC: ZINC000003861280
• PDB chain: 4xlf Chain B Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4xlf Single amino acid exchange in bacteriophage HK620 tailspike protein results in thousand-fold increase of its oligosaccharide affinity.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): H212 L282
• Binding residue (residue number reindexed from 1): H102 L172
• Annotation score: 4

External links

• PDB: RCSB:4xlf, PDBe:4xlf, PDBj:4xlf
• PDBsum: 4xlf
• UniProt: Q9AYY6