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Crystal structure of the response regulator SPO0F complexed with MN2+

Analyse Crystal structure of the response regulator SPO0F complexed with MN2+ in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1PEY
Type
protein
Length
359 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sporulation initiation phosphotransferase F
EC
2.7.-.-
UniProt
P06628
Ligands
MN
Pockets
2 · best druggability 0.50

Structure

x-ray diffraction · 3 distinct chains · 46% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASporulation initiation phosphotransferase F (EC 2.7.-.-)protein11946% helix, 21% strandP06628
BSporulation initiation phosphotransferase F (EC 2.7.-.-)protein12047% helix, 23% strandP06628
CSporulation initiation phosphotransferase F (EC 2.7.-.-)protein12045% helix, 23% strandP06628

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 3 copies · chains A, B, C

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11460.500.7926empty
21320.460.7723empty

Interfaces

1 interface between chains.

  • B–C · 493 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 1PEY · Crystal structure of the Response Regulator Spo0F complexed with Mn2+ · the same entry in another collection · chain A against A, TM-score 1.00
  • P06628 · AlphaFold monomer V2.0 prediction for sporulation initiation phosphotransferase F (P06628) · a predicted model of the same protein · chain A against A, TM-score 0.98

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