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Crystal structure of truncated fimg (fimgt) in complex with the donor strand peptide of fimf (dsf)

Analyse Crystal structure of truncated fimg (fimgt) in complex with the donor strand… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3BFW
Type
protein
Length
288 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein fimg; Protein fimf
UniProt
P08190, P08189
Ligands
YT3
Pockets
1 · best druggability 0.39

Structure

x-ray diffraction · 3 distinct chains · 2% helix, 55% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CProtein fimgprotein1322% helix, 51% strandP08190
BProtein fimfprotein110% helix, 82% strandP08189
DProtein fimfprotein130% helix, 77% strandP08189

Ligands and binding sites

  • YT3 · Yttrium (III) ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11170.390.7521empty

Interfaces

3 interfaces between chains.

  • C–D · 1223 Ų buried · 40 hydrogen bonds · protein-protein
  • A–B · 1082 Ų buried · 30 hydrogen bonds · protein-protein
  • A–C · 250 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3BFW · Crystal structure of truncated FimG (FimGt) in complex with the donor strand peptide of… · the same entry in another collection · chain D against D, TM-score 1.00
  • P08190 · AlphaFold monomer V2.0 prediction for protein fimg (P08190) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P08189 · AlphaFold monomer V2.0 prediction for protein fimf (P08189) · a predicted model of the same protein · chain B against A, TM-score 0.64

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