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Crystal structure of E.COLI iscs-tusa complex (form 2)

Analyse Crystal structure of E.COLI iscs-tusa complex (form 2) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3LVK
Type
protein
Length
464 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cysteine desulfurase; Sulfurtransferase tusa
EC
2.8.1.7, 2.8.1.-
UniProt
P0A6B9, P0A892
Ligands
PLP
Pockets
3 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACysteine desulfurase (EC 2.8.1.7)protein38841% helix, 16% strandP0A6B9
BSulfurtransferase tusa (EC 2.8.1.-)protein7629% helix, 29% strandP0A892

Ligands and binding sites

  • PLP · Pyridoxal-5'-phosphate · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11650.580.8222empty
2880.430.7919empty
3710.270.7217empty

Interfaces

1 interface between chains.

  • A–B · 746 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 cofactor (pyridoxal phosphate Schiff base).

Compared structures

  • 3LVK · Crystal Structure of E.coli IscS-TusA complex (form 2) · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A6B9 · AlphaFold monomer V2.0 prediction for cysteine desulfurase iscs (P0A6B9) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P0A892 · AlphaFold monomer V2.0 prediction for sulfur carrier protein tusa (P0A892) · a predicted model of the same protein · chain B against A, TM-score 0.98

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