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MolNFT v1 · #64500 · protein

Structure of the macrolide biosensor protein, MPHR(A)

3G56 · Regulator of macrolide 2'-phosphotransferase I: “Structure of the macrolide biosensor protein, MPHR(A)”. X-ray diffraction, 1 pocket (best druggability 0.85). MolNFT v1 #64500 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
3G56
Type
protein
Length
359 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Regulator of macrolide 2'-phosphotransferase I
UniProt
Q9EVJ6
Pockets
1 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARegulator of macrolide 2'-phosphotransferase Iprotein18074% helix, 0% strandQ9EVJ6
BRegulator of macrolide 2'-phosphotransferase Iprotein17973% helix, 0% strandQ9EVJ6

Ligands and binding sites

  • GOL · Glycerol · additive · 3 copies · chains A, B
  • EDO · 1,2-ethanediol · 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
110250.850.8586EDO

Interfaces

1 interface between chains.

  • A–B · 1487 Ų buried · 25 hydrogen bonds · protein-protein

Compared structures

  • 3G56 · Structure of the macrolide biosensor protein, MphR(A) · the same entry in another collection · chain A against A, TM-score 1.00

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