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MolNFT v1 · #122152 · protein

Macrolide 2'-phosphotransferase type I - complex with GDP and erythromycin

5IGP: “Macrolide 2'-phosphotransferase type I - complex with GDP and erythromycin”. X-ray diffraction, 2 ligands (GDP, ERY), 1 pocket (best druggability 0.75). MolNFT v1 #122152 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5IGP
Type
protein
Length
300 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Macrolide 2'-phosphotransferase
UniProt
Q47396
Ligands
GDP, ERY
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMacrolide 2'-phosphotransferaseprotein30048% helix, 17% strandQ47396

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · chains A
  • ERY · Erythromycin A · ligand · chains A
  • IPA · Isopropyl alcohol · 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
18460.750.7963GDP, ERY

Compared structures

  • 5IGP · Macrolide 2'-phosphotransferase type I - complex with GDP and erythromycin · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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