Humanized 10G4 anti-leukotriene C4 antibody Fab fragment in complex with leukotriene C4

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 51% strand (DSSP).

Ligands and binding sites

• LTX · (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11, 14-tetraenoic acid · ligand · chains H, L
• ZN · Zinc ion · metal · 3 copies · chains H, L
• EDO · 1,2-ethanediol · additive · chains H
• PGE · Triethylene glycol · additive · chains H, L
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains H

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• H–L · 1803 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

• 5KVL · Humanized 10G4 anti-leukotriene C4 antibody Fab fragment in complex with leukotriene C4 · the same entry in another collection · chain H against H, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Elsewhere: RCSB PDB 5KVL · PDBe 5KVL