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MolNFT v1 · #54632 · protein

Crystal structure of the triscatecholate siderophore binding protein feua from bacillus subtilis complexed with ferric mecam

2XV1 · Iron-uptake system-binding protein: “Crystal structure of the triscatecholate siderophore binding protein feua from bacillus subtilis complexed…”. X-ray diffraction, 3 ligands (ECA, FE, PO4), 1 pocket (best druggability 0.53).…

PDB
2XV1
Type
protein
Length
283 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Iron-uptake system-binding protein
UniProt
P40409
Ligands
ECA, FE, PO4
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIron-uptake system-binding proteinprotein28340% helix, 20% strandP40409

Ligands and binding sites

  • ECA · N,N',N''-[benzene-1,3,5-triyltris(methylene)]tris(2,3-dihydroxybenzamide) · ligand · chains A
  • FE · Fe (III) ion · metal · chains A
  • PO4 · Phosphate ion · ion · 2 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11740.530.7929ECA, FE

Compared structures

  • 2XV1 · Crystal structure of the triscatecholate siderophore binding protein FeuA from Bacillus… · the same entry in another collection · chain A against A, TM-score 1.00
  • P40409 · AlphaFold monomer V2.0 prediction for iron-uptake system-binding protein (P40409) · a predicted model of the same protein · chain A against A, TM-score 0.96

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