Structure of PDB 2x85 Chain A Binding Site BS01

Receptor Information

>2x85 Chain A (length=597) Species: 155148 (Enterobacteria phage HK620)

QFRAIIESPEGAGHVGYQYRRNTGSTMRMVSDVLDERVSLWDFHCDPSGN
VIQPGPNVDSRQYLQAAIDYVSSNGGGTITIPAGYTWYLGSYGVGGIAGH
SGIIQLRSNVNLNIEGRIHLSPFFDLKPFQVFVGFDNGDPASSGNLENCH
IYGHGVVDFGGYEFGASSQLRNGVAFGRSYNCSVTGITFQNGDVTWAITL
GWNGYGSNCYVRKCRFINLVNSSVNADHSTVYVNCPYSGVESCYFSMSSS
FARNIACSVELHQHDTFYRGSTVNGYCRGAYVVMHAAEAAGAGSYAYNMQ
VENNIAVIYGQFVILGSDVTATVSGHLNDVIVSGNIVSIGERAAFSAPFG
AFIDIGPDNSGASNVQDIQRVLVTGNSFYAPANITDSAAITLRANLNGCT
FIANNFDCRYMVYNAPGTTSPVVQNLVWDKSNVIGGTHANQRAGQNLFDM
QFASVVNSTIEVQLSCEDLSMFSCILFPASCQLSYSKITVDSAWTKSMSN
TAVFEGNQQAGANVYVSYPATVNLTSYNTQGAVPFFSTDTNYAWVTSAYS
LSINENLDFSPPATYTNKANGQLVGVGYNEIGGVRSVSVRLMLQRQV

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: 2x85 Chain B Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2x85 Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): H212 F247
• Binding residue (residue number reindexed from 1): H100 F135
• Annotation score: 4

External links

• PDB: RCSB:2x85, PDBe:2x85, PDBj:2x85
• PDBsum: 2x85
• PubMed: 22923442
• UniProt: Q9AYY6