Structure of PDB 3zuo Chain A Binding Site BS01

Receptor Information

>3zuo Chain A (length=142) Species: 6938 (Ornithodoros moubata)

DCTGSEPVDAFQAFSEGKEAYVLVRSTDPKARDCLKGEPAGETLPVMMTF
KNGTDWASTDWTFTLDGAKVTATLGNLTQNREVVYDSQSHHCHVDKVEKE
VPDYEMWMLDAGGLEVEVECCRQKLEELASGRNQMYPHLKDC

Ligand information

• Ligand ID: LTB
• InChI: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
• InChIKey: VNYSSYRCGWBHLG-AMOLWHMGSA-N
• SMILES:
  OpenEye OEToolkits 1.7.2: CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O
  OpenEye OEToolkits 1.7.2: CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O
  ACDLabs 12.01: O=C(O)CCCC(O)\C=C/C=C/C=C/C(O)C\C=C/CCCCC
  CACTVS 3.370: CCCCCC=CC[CH](O)C=CC=CC=C[CH](O)CCCC(O)=O
  CACTVS 3.370: CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
• Formula: C20 H32 O4
• Name: LEUKOTRIENE B4
• ChEMBL: CHEMBL65061
• DrugBank: DB12961
• ZINC: ZINC000004623738
• PDB chain: 3zuo Chain A Residue 1170

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3zuo Bifunctional Lipocalin Ameliorates Murine Immune Complex-Induced Acute Lung Injury.
• Resolution: 1.86 Å
• Binding residue (original residue number in PDB): F36 G39 R54 L57 G59 P61 M74 F76 W87 F89 Q105 R107 H119 D121 W133
• Binding residue (residue number reindexed from 1): F14 G17 R32 L35 G37 P39 M48 F50 W61 F63 Q79 R81 H93 D95 W107
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0090729 toxin activity

Biological Process

• GO:0035821 modulation of process of another organism

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:3zuo, PDBe:3zuo, PDBj:3zuo
• PDBsum: 3zuo
• PubMed: 23625922
• UniProt: Q5YD59|C5I_ORNMO Complement inhibitor