Structure of PDB 4odv Chain L Binding Site BS02

Receptor Information

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

DIVLTQSTSSLSASLGDRVTITCRASQDIRNYLSWYQQRPDGTVKLLIYY
TSKLHSGVPSRFSGSGSGTDYSLTITNLEQEDIATYFCQQGKTLPLYTFG
GGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWK
IDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHK
TSTSPIVKSFNRNE

Ligand information

• Ligand ID: Z9M
• InChI: InChI=1S/C6H14NO8P/c7-3-4(9)5(15-16(11,12)13)2(1-8)14-6(3)10/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
• InChIKey: QWDBGVNDGYUIAC-QZABAPFNSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)N)O)OP(=O)(O)O)O
  CACTVS 3.385: N[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1O
  CACTVS 3.385: N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@@H]1O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O
  ACDLabs 12.01: O=P(O)(O)OC1C(OC(O)C(N)C1O)CO
• Formula: C6 H14 N O8 P
• Name: 2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose;
  4-O-phosphono-beta-D-glucosamine;
  2-amino-2-deoxy-4-O-phosphono-beta-D-glucose;
  2-amino-2-deoxy-4-O-phosphono-D-glucose;
  2-amino-2-deoxy-4-O-phosphono-glucose
• DrugBank: DB02865
• ZINC: ZINC000005830009
• PDB chain: 4odv Chain A Residue 2

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): Y49 Y50 K53
• Binding residue (residue number reindexed from 1): Y49 Y50 K53
• Annotation score: 1

External links

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