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Crystal structure of btrk, a decarboxylase involved in butirosin biosynthesis

Analyse Crystal structure of btrk, a decarboxylase involved in butirosin biosynthesis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7RU7
Type
protein
Length
412 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
L-glutamyl-[btri acyl-carrier protein] decarboxylase
EC
4.1.1.95
UniProt
Q2L4H3
Ligands
PLP
Pockets
2 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AL-glutamyl-[btri acyl-carrier protein] decarboxylase (EC 4.1.1.95)protein41236% helix, 25% strandQ2L4H3

Ligands and binding sites

  • PLP · Pyridoxal-5'-phosphate · ligand · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11080.530.8326PLP
2810.400.7921empty

Modifications

Observed in the structure: 1 cofactor (pyridoxal phosphate Schiff base).

Compared structures

  • 7RU7 · Crystal structure of BtrK, a decarboxylase involved in butirosin biosynthesis · the same entry in another collection · chain A against A, TM-score 1.00
  • Q2L4H3 · AlphaFold monomer V2.0 prediction for L-glutamyl-[btri acyl-carrier protein]… · a predicted model of the same protein · chain A against A, TM-score 0.97

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