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Crystal structure and catalytic mechanism for peroplasmic disulfide- bond isomerase dsbc from salmonella enterica serovar typhimurium

Analyse Crystal structure and catalytic mechanism for peroplasmic disulfide- bond… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4I5Q
Type
protein
Length
434 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
THIOL:DISULFIDE interchange protein dsbc
UniProt
P55890
Ligands
MG
Pockets
5 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATHIOL:DISULFIDE interchange protein dsbcprotein22038% helix, 21% strandP55890
BTHIOL:DISULFIDE interchange protein dsbcprotein21438% helix, 23% strandP55890

Ligands and binding sites

  • MG · Magnesium ion · metal · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12280.480.7447empty
21120.400.7530empty
3740.330.7413empty
4510.290.749empty
5510.280.7510empty

Interfaces

1 interface between chains.

  • A–B · 962 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 4I5Q · Crystal structure and catalytic mechanism for peroplasmic disulfide-bond isomerase DsbC… · the same entry in another collection · chain A against A, TM-score 1.00
  • P55890 · AlphaFold monomer V2.0 prediction for THIOL:DISULFIDE interchange protein dsbc (P55890) · a predicted model of the same protein · chain B against A, TM-score 0.97

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