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Crystal structure of the disulfide-linked complex between the N- terminal domain of the electron transfer catalyst dsbd and the cytochrome C biogenesis protein ccmg

Analyse Crystal structure of the disulfide-linked complex between the N- terminal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1Z5Y
Type
protein
Length
254 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
THIOL:DISULFIDE interchange protein dsbd; THIOL:DISULFIDE interchange protein dsbe
EC
1.8.1.8
UniProt
P36655, P0AA86
Ligands
CL
Pockets
4 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
DTHIOL:DISULFIDE interchange protein dsbd (EC 1.8.1.8)protein1186% helix, 62% strandP36655
ETHIOL:DISULFIDE interchange protein dsbeprotein13640% helix, 25% strandP0AA86

Ligands and binding sites

  • CL · Chloride ion · ion · 3 copies · chains D, E
  • EDO · 1,2-ethanediol · additive · 4 copies · chains D, E

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1860.410.7716empty
2550.330.7719EDO
3570.320.7612EDO
4510.280.7518empty

Interfaces

1 interface between chains.

  • D–E · 707 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 1Z5Y · Crystal Structure Of The Disulfide-Linked Complex Between The N-Terminal Domain Of The… · the same entry in another collection · chain D against D, TM-score 1.00
  • P36655 · AlphaFold monomer V2.0 prediction for THIOL:DISULFIDE interchange protein dsbd (P36655) · a predicted model of the same protein · chain D against A, TM-score 0.97
  • P0AA86 · AlphaFold monomer V2.0 prediction for THIOL:DISULFIDE interchange protein dsbe (P0AA86) · a predicted model of the same protein · chain E against A, TM-score 0.97

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