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Killer cell immunoglobulin-like receptor 2DL2 in complex with HLA- C*07:02

Analyse Killer cell immunoglobulin-like receptor 2DL2 in complex with HLA- C*07:02 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PA1
Type
protein
Length
1,131 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HLA class I histocompatibility antigen, cw-7 alpha chain; Beta-2-microglobulin…
UniProt
P10321, P61769, P43627
Pockets
16 · best druggability 0.74

Structure

x-ray diffraction · 7 distinct chains · 12% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHLA class I histocompatibility antigen, cw-7 alpha chainprotein27123% helix, 39% strandP10321
BBeta-2-microglobulinprotein990% helix, 49% strandP61769
C, GArg-tyr-arg-pro-gly-thr-val-ala-leuprotein90% helix, 0% strand—
DKiller cell immunoglobulin-like receptor 2DL2protein1882% helix, 51% strandP43627
EHLA class I histocompatibility antigen, cw-7 alpha chainprotein26923% helix, 40% strandP10321
FBeta-2-microglobulinprotein1000% helix, 51% strandP61769
HKiller cell immunoglobulin-like receptor 2DL2protein1862% helix, 50% strandP43627

Pockets

16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19880.740.77101empty
26040.670.7654empty
35520.650.7646empty
43590.590.7740empty
51460.520.8025empty

Interfaces

15 interfaces between chains.

  • A–B · 1275 Ų buried · 14 hydrogen bonds · protein-protein
  • E–F · 1273 Ų buried · 15 hydrogen bonds · protein-protein
  • A–C · 980 Ų buried · 13 hydrogen bonds · protein-protein
  • E–G · 975 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 855 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

  • 6PA1 · Killer cell immunoglobulin-like receptor 2DL2 in complex with HLA-C*07:02 · 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 B against A, TM-score 0.97
  • P43627 · AlphaFold monomer V2.0 prediction for killer cell immunoglobulin-like receptor 2DL2… · a predicted model of the same protein · chain H against A, TM-score 0.94

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