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MolNFT v1 · #119339 · protein

Crystal structure of the cysteine desulfurase csda (persulfurated) from escherichia COLI at 2.384 angstroem resolution

5FT5 · L-cysteine desulfurase csda: “Crystal structure of the cysteine desulfurase csda (persulfurated) from escherichia COLI at 2.384 angstroem…”. X-ray diffraction, 1 ligand (PLP), 6 pockets (best druggability 0.75). MolNFT v1 #119339 on…

PDB
5FT5
Type
protein
Length
800 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
L-cysteine desulfurase csda
EC
2.8.1.7, 4.4.1.-, 4.4.1.16
UniProt
Q46925
Ligands
PLP
Pockets
6 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BL-cysteine desulfurase csda (EC 2.8.1.7, 4.4.1.-, 4.4.1.16)protein40042% helix, 17% strandQ46925

Ligands and binding sites

  • PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · 10 copies · chains A, B
  • TLA · L(+)-tartaric acid · additive · 2 copies · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15690.750.8394GOL, TLA, PLP
24930.720.8179TLA, PLP, GOL
3610.640.9418empty
41830.590.8128empty
51120.590.8531empty

Interfaces

1 interface between chains.

  • A–B · 3279 Ų buried · 39 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 cofactor, 2 modified (pyridoxal phosphate Schiff base, oxidation).

Compared structures

  • 5FT5 · Crystal structure of the cysteine desulfurase CsdA (persulfurated) from Escherichia coli… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q46925 · AlphaFold monomer V2.0 prediction for cysteine desulfurase csda (Q46925) · a predicted model of the same protein · chain A against A, TM-score 0.99

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