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MolNFT v1 · #92359 · protein

Crystal structure of the murine cytomegalovirus MHC-I homolog M152 with ligand rae-1 gamma

4G59 · Retinoic acid early-inducible protein 1-gamma: “Crystal structure of the murine cytomegalovirus MHC-I homolog M152 with ligand rae-1 gamma”. X-ray diffraction, 1 ligand (NAG), 7 pockets (best druggability 0.82). MolNFT v1 #92359 on…

PDB
4G59
Type
protein
Length
853 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Retinoic acid early-inducible protein 1-gamma; M152 protein
UniProt
O08604, Q83156
Ligands
NAG
Pockets
7 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 30% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARetinoic acid early-inducible protein 1-gammaprotein16235% helix, 28% strandO08604
C, DM152 proteinprotein26422% helix, 39% strandQ83156
BRetinoic acid early-inducible protein 1-gammaprotein16337% helix, 27% strandO08604

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110250.820.84113empty
23830.630.7851empty
33490.560.7537empty
4520.460.8518empty
5690.390.7815empty

Interfaces

4 interfaces between chains.

  • A–C · 1436 Ų buried · 12 hydrogen bonds · protein-protein
  • B–D · 1364 Ų buried · 12 hydrogen bonds · protein-protein
  • A–D · 711 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 116 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

  • 4G59 · Crystal structure of the murine cytomegalovirus MHC-I homolog m152 with ligand RAE-1 gamma · the same entry in another collection · chain A against A, TM-score 1.00
  • O08604 · AlphaFold monomer V2.0 prediction for retinoic acid early-inducible protein 1-gamma… · a predicted model of the same protein · chain A against A, TM-score 0.98

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