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MolNFT v1 · #157005 · protein

Crystal structure of the periplasmic lysine-, arginine-, ornithine- binding protein (lao) S70A mutant from salmonella typhimurium complexed with arginine

6MLJ · LYSINE/ARGININE/ORNITHINE transport protein: “Crystal structure of the periplasmic lysine-, arginine-, ornithine- binding protein (lao) S70A mutant from…”. X-ray diffraction, 1 ligand (ARG), 4 pockets (best druggability 0.49).…

PDB
6MLJ
Type
protein
Length
474 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
LYSINE/ARGININE/ORNITHINE transport protein
UniProt
A0A0F6B499
Ligands
ARG
Pockets
4 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BLYSINE/ARGININE/ORNITHINE transport proteinprotein23738% helix, 22% strandA0A0F6B499

Ligands and binding sites

  • ARG · Arginine · ligand · 2 copies · chains A, B
  • ACT · Acetate ion · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11800.490.7733empty
22050.480.7538empty
3770.390.7819empty
4730.380.7718ACT

Interfaces

1 interface between chains.

  • A–B · 247 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6MLJ · Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO)… · the same entry in another collection · chain A against A, TM-score 1.00

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