Structure of PDB 1tyu Chain A Binding Site BS03

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: GLA
• 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-PHYPRBDBSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)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)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-galactopyranose;
  alpha-D-galactose;
  D-galactose;
  galactose;
  ALPHA D-GALACTOSE
• ChEMBL: CHEMBL1233058
• ZINC: ZINC000000901155
• PDB chain: 1tyu Chain B Residue 3

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): E359 W365
• Binding residue (residue number reindexed from 1): E247 W253
• Annotation score: 4

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)