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MolNFT v1 · #178168 · protein

Crystal structure of metal-citrate-binding mutant (S164A) protein (mcta) of ABC transporter in apo state

7F6R · Iron ABC transporter, periplasmic iron-binding protein: “Crystal structure of metal-citrate-binding mutant (S164A) protein (mcta) of ABC transporter in apo state”. X-ray diffraction, 3 ligands (SO3, SO4, CO3), 1 pocket (best…

PDB
7F6R
Type
protein
Length
337 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Iron ABC transporter, periplasmic iron-binding protein
UniProt
Q53VZ2
Ligands
SO3, SO4, CO3
Pockets
1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIron ABC transporter, periplasmic iron-binding proteinprotein33749% helix, 18% strandQ53VZ2

Ligands and binding sites

  • SO3 · Sulfite ion · ion · 4 copies · chains A
  • SO4 · Sulfate ion · ion · chains A
  • CO3 · Carbonate ion · ion · chains A
  • GOL · Glycerol · additive · 4 copies · chains A
  • EDO · 1,2-ethanediol · 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
12790.570.7738GOL, SO3, CO3

Compared structures

  • 7F6R · Crystal structure of metal-citrate-binding mutant (S164A) protein (MctA) of ABC… · the same entry in another collection · chain A against A, TM-score 1.00

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