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2.8 ångström crystal structure of succinate-acetate permease from citrobacter koseri

Analyse 2.8 ångström crystal structure of succinate-acetate permease from citrobacter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5YS8
Type
protein
Length
544 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Succinate-acetate permease
UniProt
A8ALU5
Ligands
78M
Pockets
8 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 75% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASuccinate-acetate permeaseprotein18273% helix, 0% strandA8ALU5
B, CSuccinate-acetate permeaseprotein18177% helix, 0% strandA8ALU5

Ligands and binding sites

  • 78M · (2S)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate · ligand · 3 copies · chains B, A, C
  • ACT · Acetate ion · additive · 4 copies · chains A, B, C

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

Pockets

8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11870.590.8142ACT
21760.590.8130ACT
31580.570.8126empty
41530.560.8127ACT
52080.550.7832ACT

Interfaces

2 interfaces between chains.

  • A–C · 1823 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 1800 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 5YS8 · 2.8 angstrom crystal structure of Succinate-Acetate Permease from Citrobacter koseri · the same entry in another collection · chain A against A, TM-score 1.00

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