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Crystal structure of TTC0807 complexed with lysine

Analyse Crystal structure of TTC0807 complexed with lysine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3VVE
Type
protein
Length
482 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Amino acid ABC transporter, binding protein
UniProt
Q72JG5
Ligands
LYS, SO4
Pockets
4 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAmino acid ABC transporter, binding proteinprotein24138% helix, 31% strandQ72JG5

Ligands and binding sites

  • LYS · Lysine · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14880.640.7645empty
2990.440.7817empty
31070.420.7718empty
4760.320.7524empty

Interfaces

1 interface between chains.

  • A–B · 916 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3VVE · Crystal structure of TTC0807 complexed with Lysine · the same entry in another collection · chain A against A, TM-score 1.00

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