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Crystal structure of the G26C mutant of leut

Analyse Crystal structure of the G26C mutant of leut in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7DJ1
Type
protein
Length
978 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NA(+):NEUROTRANSMITTER symporter (snf family)
UniProt
O67854
Ligands
LEU, NA
Pockets
9 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANA(+):NEUROTRANSMITTER symporter (snf family)protein48878% helix, 1% strandO67854
BNA(+):NEUROTRANSMITTER symporter (snf family)protein49077% helix, 1% strandO67854

Ligands and binding sites

  • LEU · Leucine · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11770.810.9524empty
25550.760.8360LEU
34980.750.8361LEU
42790.660.8128empty
5810.450.8013empty

Interfaces

1 interface between chains.

  • A–B · 1299 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 7DJ1 · Crystal structure of the G26C mutant of LeuT · the same entry in another collection · chain A against A, TM-score 1.00

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