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Structure of the sbp fpvc from pseudomonas aeruginosa in complex with FE(II)

Analyse Structure of the sbp fpvc from pseudomonas aeruginosa in complex with FE(II) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6R5S
Type
protein
Length
540 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Adhesion protein
UniProt
A0A069PX18
Ligands
FE2
Pockets
5 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAdhesion proteinprotein27145% helix, 12% strandA0A069PX18
BAdhesion proteinprotein26945% helix, 12% strandA0A069PX18

Ligands and binding sites

  • FE2 · Fe (II) ion · metal · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · chains B

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
1630.410.8114EDO
2570.380.8016empty
3540.330.7811empty
4720.320.7516empty
5500.250.7416empty

Interfaces

1 interface between chains.

  • A–B · 450 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 6R5S · Structure of the SBP FpvC from pseudomonas aeruginosa in complex with Fe(II) · the same entry in another collection · chain A against A, TM-score 1.00

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