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MolNFT v1 · #135938 · protein

Lare, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with zinc

5UDX · Lactate racemization operon protein lare: “Lare, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with zinc”. X-ray diffraction, 3 ligands (ZN, SO4, PO4), 17 pockets (best druggability…

PDB
5UDX
Type
protein
Length
1,471 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lactate racemization operon protein lare
UniProt
F9UST4
Ligands
ZN, SO4, PO4
Pockets
17 · best druggability 0.81

Structure

x-ray diffraction · 6 distinct chains · 52% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALactate racemization operon protein lareprotein24852% helix, 15% strandF9UST4
BLactate racemization operon protein lareprotein24252% helix, 16% strandF9UST4
CLactate racemization operon protein lareprotein25051% helix, 14% strandF9UST4
DLactate racemization operon protein lareprotein24052% helix, 15% strandF9UST4
ELactate racemization operon protein lareprotein24151% helix, 16% strandF9UST4
FLactate racemization operon protein lareprotein25051% helix, 15% strandF9UST4

Ligands and binding sites

  • ZN · Zinc ion · metal · 6 copies · chains A, B, C, D, E, F
  • SO4 · Sulfate ion · ion · 10 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

17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11710.810.9633empty
24980.720.8158SO4
35530.670.7767SO4
45300.670.7851SO4
55280.670.7853SO4

Interfaces

12 interfaces between chains.

  • B–D · 895 Ų buried · 6 hydrogen bonds · protein-protein
  • C–E · 868 Ų buried · 8 hydrogen bonds · protein-protein
  • A–F · 861 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 607 Ų buried · 11 hydrogen bonds · protein-protein
  • D–F · 594 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 5UDX · LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in… · 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 E against A, TM-score 0.98

Analyse

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