Structure of PDB 1tyu Chain A Binding Site BS04

Receptor Information

>1tyu Chain A (length=543) Species: 10754 (Lederbergvirus P22)

YSIEADKKFKYSVKLSDYPTLQDAASAAVDGLLIDRDYNFYGGETVDFGG
KVLTIECKAKFIGDGNLIFTKLGKGSRIAGVFMESTTTPWVIKPWTDDNQ
WLTDAAAVVATLKQSKTDGYQPTVSDYVKFPGIETLLPPNAKGQNITSTL
EIRECIGVEVHRASGLMAGFLFRGCHFCKMVDANNPSGGKDGIITFENLS
GDWGKGNYVIGGRTSYGSVSSAQFLRNNGGFERDGGVIGFTSYRAGESGV
KTWQGTVGSTTSRNYNLQFRDSVVIYPVWDGFDLGADTDRPGDYPITQYP
LHQLPLNHLIDNLLVRGALGVGFGMDGKGMYVSNITVEDCAGSGAYLLTH
ESVFTNIAIIDTNTKDFQANQIYISGACRVNGLRLIGIRSLTIDAPNSTV
SGITGMVDPSRINVANLAEEGLGNIRANSFGYDSAAIKLRIHKLSKTLDS
GALYSHINGGAGSGSAYTQLTAISGSTPDAVSLKVNHKDCRGAEIPFVPD
IASDDFIKDSSCFLPYWENNSTSLKALVKKPNGELVRLTLATL

Ligand information

• Ligand ID: TYV
• InChI: InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5+,6+/m1/s1
• InChIKey: KYPWIZMAJMNPMJ-VANKVMQKSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC1C(CC(C(O1)O)O)O
  OpenEye OEToolkits 1.5.0: C[C@@H]1[C@H](C[C@@H]([C@H](O1)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)C[CH]1O
  ACDLabs 10.04: OC1C(OC(O)C(O)C1)C
  CACTVS 3.341: C[C@H]1O[C@H](O)[C@@H](O)C[C@@H]1O
• Formula: C6 H12 O4
• Name: alpha-D-Tyvelopyranose;
  alpha-D-Tyvelose;
  3,6-dideoxy-alpha-D-arabino-hexopyranose;
  3,6-dideoxy-alpha-D-mannopyranose;
  3,6-dideoxy-alpha-D-altropyranose;
  3-deoxy-alpha-D-rhamnopyranose;
  D-Tyvelose;
  Tyvelose
• DrugBank: DB04028
• ZINC: ZINC000006488820
• PDB chain: 1tyu Chain B Residue 7

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1tyu Crystal structure of phage P22 tailspike protein complexed with Salmonella sp. O-antigen receptors.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D303 T307 E309 L337 W365
• Binding residue (residue number reindexed from 1): D191 T195 E197 L225 W253
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.1.-

External links

• PDB: RCSB:1tyu, PDBe:1tyu, PDBj:1tyu
• PDBsum: 1tyu
• PubMed: 8855221
• UniProt: P12528|FIBER_BPP22 Tail spike protein (Gene Name=9)