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Interleukin-8 with an added disulfide between residues 5 and 33 (L5C/H33C)

Analyse Interleukin-8 with an added disulfide between residues 5 and 33 (L5C/H33C) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1QE6
Type
protein
Length
278 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Interleukin-8 variant
UniProt
P10145
Ligands
SO4
Pockets
3 · best druggability 0.59

Structure

x-ray diffraction · 4 distinct chains · 24% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInterleukin-8 variantprotein6825% helix, 25% strandP10145
BInterleukin-8 variantprotein7124% helix, 27% strandP10145
CInterleukin-8 variantprotein6725% helix, 25% strandP10145
DInterleukin-8 variantprotein7224% helix, 26% strandP10145

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14450.590.7551empty
21090.440.7818empty
3660.310.7517empty

Interfaces

5 interfaces between chains.

  • C–D · 1088 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1079 Ų buried · 21 hydrogen bonds · protein-protein
  • A–C · 154 Ų buried · 1 hydrogen bond · protein-protein
  • B–D · 53 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 35 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 11 disulfide (disulfide).

Compared structures

  • 1QE6 · Interleukin-8 with an added disulfide between residues 5 and 33 (L5C/H33C) · the same entry in another collection · chain D against D, TM-score 1.00
  • P10145 · AlphaFold monomer V2.0 prediction for interleukin-8 (P10145) · a predicted model of the same protein · chain C against A, TM-score 0.96

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