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Crystal structure of il-13 in complex with MMAB3 Fab

Analyse Crystal structure of il-13 in complex with MMAB3 Fab in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7REW
Type
protein
Length
999 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Anti-cyno interleukin 13 Fab heavy chain; Anti-cyno interleukin 13 Fab light chain; IL13
UniProt
Q0PW92
Pockets
11 · best druggability 0.65

Structure

x-ray diffraction · 6 distinct chains · 15% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HAnti-cyno interleukin 13 Fab heavy chainprotein1975% helix, 50% strand—
LAnti-cyno interleukin 13 Fab light chainprotein2067% helix, 48% strand—
AAnti-cyno interleukin 13 Fab heavy chainprotein2036% helix, 51% strand—
BAnti-cyno interleukin 13 Fab light chainprotein2088% helix, 51% strand—
GIL13protein9253% helix, 7% strandQ0PW92
IIL13protein9351% helix, 6% strandQ0PW92

Pockets

11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17140.650.7485empty
25070.610.7444empty
33370.510.7354empty
41200.380.7423empty
5950.360.7514empty

Interfaces

10 interfaces between chains.

  • A–B · 1673 Ų buried · 12 hydrogen bonds · protein-protein
  • H–L · 1629 Ų buried · 10 hydrogen bonds · protein-protein
  • A–G · 620 Ų buried · 10 hydrogen bonds · protein-protein
  • H–I · 604 Ų buried · 11 hydrogen bonds · protein-protein
  • B–G · 391 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

  • 7REW · Crystal Structure of IL-13 in complex with MMAb3 Fab · the same entry in another collection · chain H against H, TM-score 1.00

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