Structure of PDB 4odv Chain L Binding Site BS01

Receptor Information

>4odv Chain L (length=214) Species: 10090 (Mus musculus)

DIVLTQSTSSLSASLGDRVTITCRASQDIRNYLSWYQQRPDGTVKLLIYY
TSKLHSGVPSRFSGSGSGTDYSLTITNLEQEDIATYFCQQGKTLPLYTFG
GGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWK
IDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHK
TSTSPIVKSFNRNE

Ligand information

• Ligand ID: GP1
• InChI: InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
• InChIKey: YMJBYRVFGYXULK-QZABAPFNSA-N
• SMILES:
  CACTVS 3.341: N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O
  ACDLabs 10.04: O=P(OC1OC(C(O)C(O)C1N)CO)(O)O
  CACTVS 3.341: N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)OP(=O)(O)O)N)O)O)O
• Formula: C6 H14 N O8 P
• Name: 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose;
  GLUCOSAMINE 1-PHOSPHATE;
  1-O-phosphono-alpha-D-glucosamine;
  2-amino-2-deoxy-1-O-phosphono-alpha-D-glucose;
  2-amino-2-deoxy-1-O-phosphono-D-glucose;
  2-amino-2-deoxy-1-O-phosphono-glucose
• DrugBank: DB03111
• ZINC: ZINC000004097029
• PDB chain: 4odv Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4odv Structural Basis for Antibody Recognition of Lipid A: INSIGHTS TO POLYSPECIFICITY TOWARD SINGLE-STRANDED DNA.
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): R30 Y32 Y50
• Binding residue (residue number reindexed from 1): R30 Y32 Y50
• Annotation score: 1

External links

• PDB: RCSB:4odv, PDBe:4odv, PDBj:4odv
• PDBsum: 4odv
• PubMed: 26085093