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MolNFT v1 · #135931 · protein

Lare, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, apo form

5UDQ · Lactate racemization operon protein lare: “Lare, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, apo form”. X-ray diffraction, 2 ligands (SO4, PO4), 20 pockets (best druggability 0.82). MolNFT v1…

PDB
5UDQ
Type
protein
Length
1,509 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lactate racemization operon protein lare
UniProt
F9UST4
Ligands
SO4, PO4
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 6 distinct chains · 53% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALactate racemization operon protein lareprotein26354% helix, 13% strandF9UST4
BLactate racemization operon protein lareprotein24551% helix, 15% strandF9UST4
CLactate racemization operon protein lareprotein24953% helix, 14% strandF9UST4
DLactate racemization operon protein lareprotein24052% helix, 15% strandF9UST4
ELactate racemization operon protein lareprotein26253% helix, 14% strandF9UST4
FLactate racemization operon protein lareprotein25053% helix, 14% strandF9UST4

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D, E, F
  • PO4 · Phosphate ion · ion · 6 copies · chains A, B, C, D, E, F

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

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12170.820.9544empty
26720.710.7867SO4
33840.700.8238SO4
45070.680.7848SO4
53700.670.8040SO4

Interfaces

13 interfaces between chains.

  • C–E · 1167 Ų buried · 6 hydrogen bonds · protein-protein
  • A–F · 1086 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 849 Ų buried · 4 hydrogen bonds · protein-protein
  • A–C · 678 Ų buried · 11 hydrogen bonds · protein-protein
  • E–F · 611 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 5UDQ · LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase… · the same entry in another collection · chain F against F, TM-score 1.00
  • F9UST4 · AlphaFold monomer V2.0 prediction for pyridinium-3,5-bisthiocarboxylic acid… · a predicted model of the same protein · chain B against A, TM-score 0.97

Analyse

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