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

Analyse Lare, a sulfur transferase involved in synthesis of the cofactor for lactate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5UDV
Type
protein
Length
1,508 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lactate racemization operon protein lare
UniProt
F9UST4
Ligands
FE, SO4, PO4
Pockets
19 · best druggability 0.81

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ALactate racemization operon protein lareprotein26453% helix, 14% strandF9UST4
BLactate racemization operon protein lareprotein24452% helix, 15% strandF9UST4
CLactate racemization operon protein lareprotein24953% helix, 16% strandF9UST4
DLactate racemization operon protein lareprotein23953% helix, 15% strandF9UST4
ELactate racemization operon protein lareprotein26251% helix, 14% strandF9UST4
FLactate racemization operon protein lareprotein25052% helix, 15% strandF9UST4

Ligands and binding sites

  • FE · Fe (III) ion · metal · 2 copies · chains A, B, C, D, E, F
  • SO4 · Sulfate ion · ion · 7 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11910.810.9538empty
25800.730.8165SO4
37380.720.7871SO4
43730.680.8140SO4
54890.670.7848SO4

Interfaces

13 interfaces between chains.

  • C–E · 1149 Ų buried · 7 hydrogen bonds · protein-protein
  • A–F · 1090 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 833 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 622 Ų buried · 10 hydrogen bonds · protein-protein
  • E–F · 610 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 5UDV · 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 B against A, TM-score 0.97

Analyse

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