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MolNFT v1 · #35033 · protein

Crystal structure of LILRB2(LIR2/ILT4/CD85D) complexed with HLA-G

2DYP · HLA class I histocompatibility antigen, alpha chain G: “Crystal structure of LILRB2(LIR2/ILT4/CD85D) complexed with HLA-G”. X-ray diffraction, 9 pockets (best druggability 0.75). MolNFT v1 #35033 on GenesisL1: 3D structure, binding…

PDB
2DYP
Type
protein
Length
569 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HLA class I histocompatibility antigen, alpha chain G; Beta-2-microglobulin; 9 mer…
UniProt
P17693, P61769, P16104, Q8N423
Pockets
9 · best druggability 0.75

Structure

x-ray diffraction · 4 distinct chains · 14% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHLA class I histocompatibility antigen, alpha chain Gprotein27526% helix, 39% strandP17693
BBeta-2-microglobulinprotein1000% helix, 51% strandP61769
C9 mer peptide from histone H2A.Xprotein90% helix, 0% strandP16104
DLeukocyte immunoglobulin-like receptor subfamily B member 2protein1853% helix, 47% strandQ8N423

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18860.750.7956empty
25770.660.7650empty
31220.420.7623empty
4520.400.8217empty
51220.380.7423empty

Interfaces

4 interfaces between chains.

  • A–B · 1411 Ų buried · 26 hydrogen bonds · protein-protein
  • A–C · 992 Ų buried · 18 hydrogen bonds · protein-protein
  • B–D · 677 Ų buried · 8 hydrogen bonds · protein-protein
  • A–D · 502 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 2DYP · Crystal Structure of LILRB2(LIR2/ILT4/CD85d) complexed with HLA-G · the same entry in another collection · chain D against D, 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 0.99
  • P17693 · AlphaFold monomer V2.0 prediction for HLA class I histocompatibility antigen, alpha chain… · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q8N423 · AlphaFold monomer V2.0 prediction for leukocyte immunoglobulin-like receptor subfamily B… · a predicted model of the same protein · chain D against A, TM-score 0.95
  • P16104 · AlphaFold monomer V2.0 prediction for histone H2AX (P16104) · a predicted model of the same protein · chain C against A, TM-score 0.40

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