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Crystal structure of a mfs transporter with bound 3-phenylpropanoic acid at 2.39 angstroem resolution

Analyse Crystal structure of a mfs transporter with bound 3-phenylpropanoic acid at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6ZGS
Type
protein
Length
768 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
L-lactate transporter
UniProt
A0LNN5
Ligands
HCI
Pockets
5 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 84% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AL-lactate transporterprotein40481% helix, 1% strandA0LNN5
BL-lactate transporterprotein36487% helix, 0% strandA0LNN5

Ligands and binding sites

  • HCI · Hydrocinnamic acid · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16830.750.8047HCI
26580.740.8048HCI
34640.680.7837empty
45160.630.7553empty
5880.370.7615empty

Interfaces

1 interface between chains.

  • A–B · 423 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6ZGS · Crystal structure of a MFS transporter with bound 3-phenylpropanoic acid at 2.39… · the same entry in another collection · chain A against A, TM-score 1.00
  • A0LNN5 · AlphaFold monomer V2.0 prediction for L-lactate transporter (A0LNN5) · a predicted model of the same protein · chain B against A, TM-score 0.98

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