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Crystal structure of a cysteine desulfurase sufs from stenotrophomonas maltophilia K279A

Analyse Crystal structure of a cysteine desulfurase sufs from stenotrophomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6WCI
Type
protein
Length
805 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cysteine desulfurase
EC
2.8.1.7
UniProt
B2FS04
Ligands
SO4
Pockets
4 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACysteine desulfurase (EC 2.8.1.7)protein40244% helix, 19% strandB2FS04
BCysteine desulfurase (EC 2.8.1.7)protein40343% helix, 19% strandB2FS04

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains B
  • EDO · 1,2-ethanediol · 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
12060.810.9538EDO
21310.640.8823empty
32190.620.8233empty
4930.390.7624empty

Interfaces

1 interface between chains.

  • A–B · 3519 Ų buried · 50 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (cofactor, oxidation).

Compared structures

  • 6WCI · Crystal structure of a cysteine desulfurase SufS from Stenotrophomonas maltophilia K279a · the same entry in another collection · chain A against A, TM-score 1.00

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