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MolNFT v1 · #121132 · protein

The intracellular domain of butyrophilin 3A1 protein

5HM7 · Butyrophilin subfamily 3 member A1: “The intracellular domain of butyrophilin 3A1 protein”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.63). MolNFT v1 #121132 on GenesisL1: 3D structure, binding sites and…

PDB
5HM7
Type
protein
Length
397 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Butyrophilin subfamily 3 member A1
UniProt
O00481
Ligands
MG
Pockets
2 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AButyrophilin subfamily 3 member A1protein20715% helix, 33% strandO00481
BButyrophilin subfamily 3 member A1protein1909% helix, 36% strandO00481

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • BME · Beta-mercaptoethanol · additive · 4 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13120.630.8038BME, MG
22740.570.7727GOL

Interfaces

1 interface between chains.

  • A–B · 511 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent (additive adduct).

Compared structures

  • 5HM7 · The Intracellular domain of Butyrophilin 3A1 protein · the same entry in another collection · chain A against A, TM-score 1.00
  • O00481 · AlphaFold monomer V2.0 prediction for butyrophilin subfamily 3 member A1 (O00481) · a predicted model of the same protein · chain B against A, TM-score 1.00

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