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Crystal structure of non-phosphorylated form of rtf phosphopeptide bound to HLA-A2 in complex with LILRB1

Analyse Crystal structure of non-phosphorylated form of rtf phosphopeptide bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6EWO
Type
protein
Length
1,126 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HLA class I histocompatibility antigen, a-2 alpha chain; Beta-2-microglobulin; Synemin…
UniProt
P01892, P61769, O15061, D9IDM8
Pockets
15 · best druggability 0.77

Structure

x-ray diffraction · 6 distinct chains · 16% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHLA class I histocompatibility antigen, a-2 alpha chainprotein27626% helix, 39% strandP01892
B, FBeta-2-microglobulinprotein990% helix, 52% strandP61769
C, GSyneminprotein90% helix, 0% strandO15061
DLir-1protein1845% helix, 44% strandD9IDM8
EHLA class I histocompatibility antigen, a-2 alpha chainprotein27427% helix, 40% strandP01892
HLir-1protein1766% helix, 42% strandD9IDM8

Pockets

15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19860.770.7975empty
28760.760.8066empty
35450.670.7846empty
45950.670.7760empty
55260.670.7858empty

Interfaces

9 interfaces between chains.

  • E–F · 1417 Ų buried · 19 hydrogen bonds · protein-protein
  • A–B · 1351 Ų buried · 19 hydrogen bonds · protein-protein
  • E–G · 897 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 884 Ų buried · 15 hydrogen bonds · protein-protein
  • F–H · 651 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

  • 6EWO · Crystal structure of non-phosphorylated form of RTF PHOSPHOPEPTIDE BOUND TO HLA-A2 in… · the same entry in another collection · chain H against H, TM-score 1.00
  • P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain F against A, TM-score 0.98
  • O15061 · AlphaFold monomer V2.0 prediction for synemin (O15061) · a predicted model of the same protein · chain C against A, TM-score 0.33

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