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Crystal structure of bordetella pertussis holo ferric binding protein with bound synergistic carbonate anion

Analyse Crystal structure of bordetella pertussis holo ferric binding protein with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2OWT
Type
protein
Length
315 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative iron binding protein
UniProt
Q7VXW9
Ligands
FE, CO3
Pockets
2 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative iron binding proteinprotein31547% helix, 19% strandQ7VXW9

Ligands and binding sites

  • FE · Fe (III) ion · metal · chains A
  • CO3 · Carbonate ion · ion · chains A

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
11930.510.7741CO3
2680.300.7319empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 2OWT · Crystal structure of Bordetella pertussis holo ferric binding protein with bound… · the same entry in another collection · chain A against A, TM-score 1.00

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