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MolNFT v1 · #127225 · protein

Crystal structure of RAE1 (yacp) from bacillus subtilis (W164L mutant)

5MQ9 · Uncharacterized protein yacp: “Crystal structure of RAE1 (yacp) from bacillus subtilis (W164L mutant)”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.74). MolNFT v1 #127225 on GenesisL1: 3D structure, binding…

PDB
5MQ9
Type
protein
Length
318 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein yacp
UniProt
P37574
Ligands
SO4
Pockets
1 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 58% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized protein yacpprotein15959% helix, 14% strandP37574
BUncharacterized protein yacpprotein15957% helix, 14% strandP37574

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16780.740.8076SO4

Interfaces

1 interface between chains.

  • A–B · 1132 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 5MQ9 · Crystal structure of Rae1 (YacP) from Bacillus subtilis (W164L mutant) · the same entry in another collection · chain A against A, TM-score 1.00
  • P37574 · AlphaFold monomer V2.0 prediction for uncharacterized protein yacp (P37574) · a predicted model of the same protein · chain A against A, TM-score 0.84

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