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Apo structure of cysteine desulfurase from thermococcus onnurineus NA1 at 1.89A

Analyse Apo structure of cysteine desulfurase from thermococcus onnurineus NA1 at 1.89A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5B7U
Type
protein
Length
802 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cysteine desulfurase
EC
2.8.1.7
UniProt
B6YT87
Ligands
CYS
Pockets
5 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACysteine desulfurase (EC 2.8.1.7)protein40244% helix, 16% strandB6YT87
BCysteine desulfurase (EC 2.8.1.7)protein40044% helix, 16% strandB6YT87

Ligands and binding sites

  • CYS · Cysteine · ligand · chains A, B
  • IPA · Isopropyl alcohol · additive · chains A

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12780.670.8334empty
22460.650.8328IPA
32790.620.8027empty
4620.420.8116empty
5850.400.7822empty

Interfaces

1 interface between chains.

  • A–B · 3615 Ų buried · 83 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 5B7U · Apo Structure of Cysteine Desulfurase from Thermococcus onnurineus NA1 at 1.89A · the same entry in another collection · chain A against A, TM-score 1.00

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