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Crystal structures of the plp- and pmp-bound forms of btrr, a dual functional aminotransferase involved in butirosin biosynthesis.

Analyse Crystal structures of the plp- and pmp-bound forms of btrr, a dual functional… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2C81
Type
protein
Length
408 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamine-2-deoxy-scyllo-inosose aminotransferase
EC
2.6.1.-
UniProt
Q8G8Y2
Ligands
PMP
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamine-2-deoxy-scyllo-inosose aminotransferase (EC 2.6.1.-)protein40841% helix, 17% strandQ8G8Y2

Ligands and binding sites

  • PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · chains A

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
11700.530.7935PMP

Compared structures

  • 2C81 · Crystal structures of the PLP- and PMP-bound forms of BtrR, a dual functional… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8G8Y2 · AlphaFold monomer V2.0 prediction for L-GLUTAMINE:2-deoxy-scyllo- inosose… · a predicted model of the same protein · chain A against A, TM-score 0.99

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