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MolNFT v1 · #18404 · protein

Crystal structure of ferric citrate transporter feca in complex with iron-free citrate

1PO0 · IRON(III) dicitrate transport protein feca precursor: “Crystal structure of ferric citrate transporter feca in complex with iron-free citrate”. X-ray diffraction, 6 pockets (best druggability 0.85). MolNFT v1 #18404 on GenesisL1: 3D…

PDB
1PO0
Type
protein
Length
661 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
IRON(III) dicitrate transport protein feca precursor
UniProt
P13036
Pockets
6 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIRON(III) dicitrate transport protein feca precursorprotein6617% helix, 54% strandP13036

Ligands and binding sites

  • FLC · Citrate anion · additive · 2 copies · chains A

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

Pockets

6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13240.850.9566empty
25880.760.8372FLC
33440.720.8540empty
43830.710.8336empty
53840.700.8243empty

Compared structures

  • 1PO0 · Crystal structure of ferric citrate transporter FecA in complex with iron-free citrate · the same entry in another collection · chain A against A, TM-score 1.00
  • P13036 · AlphaFold monomer V2.0 prediction for FE(3+) dicitrate transport protein feca (P13036) · a predicted model of the same protein · chain A against A, TM-score 0.98

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