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Crystal structure of a dimeric ferredoxin-like protein (BB1511) from bordetella bronchiseptica RB50 at 1.90 a resolution

Analyse Crystal structure of a dimeric ferredoxin-like protein (BB1511) from bordetella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2QYC
Type
protein
Length
204 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferredoxin-like protein
UniProt
Q7WM81
Ligands
CL
Pockets
2 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFerredoxin-like proteinprotein10236% helix, 37% strandQ7WM81

Ligands and binding sites

  • CL · Chloride ion · ion · chains B
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
  • ACT · Acetate ion · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11030.540.8320EDO
21540.480.7720empty

Interfaces

1 interface between chains.

  • A–B · 1252 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 modified, 2 disulfide (engineered, disulfide).

Compared structures

  • 2QYC · Crystal structure of a dimeric ferredoxin-like protein (bb1511) from bordetella… · the same entry in another collection · chain A against A, TM-score 1.00

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