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MolNFT v1 · #70860 · protein

Crystal structure of mgmppnp-bound nfeob from S. thermophilus

3LX5 · Ferrous iron uptake transporter protein B: “Crystal structure of mgmppnp-bound nfeob from S. thermophilus”. X-ray diffraction, 2 ligands (AGO, MG), 1 pocket (best druggability 0.55). MolNFT v1 #70860 on GenesisL1: 3D structure…

PDB
3LX5
Type
protein
Length
259 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferrous iron uptake transporter protein B
UniProt
Q5M586
Ligands
AGO, MG
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFerrous iron uptake transporter protein Bprotein25951% helix, 14% strandQ5M586

Ligands and binding sites

  • AGO · 2-amino-9-(5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-O-{[2-(methylamino)phenyl]carbonyl}-beta-D-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6H-purin-6-one · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • GOL · Glycerol · additive · 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
1970.550.8527AGO, MG

Compared structures

  • 3LX5 · Crystal structure of mGMPPNP-bound NFeoB from S. thermophilus · the same entry in another collection · chain A against A, TM-score 1.00

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