› 4mhw

X-ray diffraction
2.5Å resolution

Crystal structure of ThiT with small molecule BAT-25

Released:
DOI: 10.2210/pdb4mhw/pdb
PDB entry 4mhw coloured by chain, front view.
PDB entry 4mhw coloured by chain, side view.
PDB entry 4mhw coloured by chain, top view.
Source organism: Lactococcus lactis subsp. cremoris NZ9000
Entry authors: Swier LJYM, Guskov A, Slotboom DJ

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-164820 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thiamine transporter ThiT Chains: A, B
Molecule details ›
Chains: A, B
Length: 192 amino acids
Theoretical weight: 21.23 KDa
Source organism: Lactococcus lactis subsp. cremoris NZ9000
Expression system: Lactococcus lactis subsp. cremoris NZ9000
Structure domains: Arp2/3 complex 21 kDa subunit ARPC3

Ligands and Environments

8 bound ligands:
Ligand 0YN 2 x 0YN
Ligand BNG 3 x BNG
Ligand P6G 2 x P6G
Ligand 1PE 2 x 1PE
Ligand PEG 16 x PEG
Ligand PE4 1 x PE4
Ligand PG0 5 x PG0
Ligand PG4 5 x PG4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: C2
Unit cell:
a: 63.73Å b: 84.09Å c: 128.81Å
α: 90° β: 94.58° γ: 90°
R-values:
R R work R free
0.192 0.188 0.25
Expression system: Lactococcus lactis subsp. cremoris NZ9000

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