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MolNFT v1 · #139123 · protein

Crystal structure of a hydrolase encoded by LIN2189 from listeria innocua

5X5M · LIN2189 protein: “Crystal structure of a hydrolase encoded by LIN2189 from listeria innocua”. X-ray diffraction, 1 ligand (7YU), 4 pockets (best druggability 0.62). MolNFT v1 #139123 on GenesisL1: 3D structure, binding sites and…

PDB
5X5M
Type
protein
Length
410 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
LIN2189 protein
UniProt
Q929T5
Ligands
7YU
Pockets
4 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BLIN2189 proteinprotein20533% helix, 31% strandQ929T5

Ligands and binding sites

  • 7YU · (+)-Yatakemycin · ligand · 2 copies · chains A, B
  • DMS · Dimethyl sulfoxide · additive · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13360.620.7845DMS, 7YU
23400.620.7843DMS, 7YU
33360.550.7544empty
4870.410.7818empty

Interfaces

1 interface between chains.

  • A–B · 336 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 5X5M · Crystal structure of a hydrolase encoded by lin2189 from Listeria innocua · the same entry in another collection · chain A against A, TM-score 1.00

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