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MolNFT v1 · #53023 · protein

Crystal structures of the N-terminal intracellular domain of feob from klebsiella pneumoniae in apo form

2WIA · Ferrous iron transport protein B: “Crystal structures of the N-terminal intracellular domain of feob from klebsiella pneumoniae in apo form”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.73). MolNFT v1 #53023 on…

PDB
2WIA
Type
protein
Length
505 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferrous iron transport protein B
UniProt
A6TF32
Ligands
MG
Pockets
4 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFerrous iron transport protein Bprotein25348% helix, 17% strandA6TF32
BFerrous iron transport protein Bprotein25248% helix, 18% strandA6TF32

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18390.730.7864empty
21050.480.8018empty
3790.430.8014empty
4660.300.7416empty

Interfaces

1 interface between chains.

  • A–B · 208 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 2WIA · Crystal Structures of the N-terminal Intracellular Domain of FeoB from Klebsiella… · the same entry in another collection · chain A against A, TM-score 1.00

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