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MolNFT v1 · #109605 · protein

Mycf mycinamicin III 3'-O-methyltransferase in complex with mg, sah and mycinamicin III (substrate)

4X7U · Mycinamicin III 3''-O-methyltransferase: “Mycf mycinamicin III 3'-O-methyltransferase in complex with mg, sah and mycinamicin III (substrate)”. X-ray diffraction, 3 ligands (SAH, ZM3, MG), 2 pockets (best druggability 0.75). MolNFT…

PDB
4X7U
Type
protein
Length
504 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mycinamicin III 3''-O-methyltransferase
EC
2.1.1.237
UniProt
Q49492
Ligands
SAH, ZM3, MG
Pockets
2 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMycinamicin III 3''-O-methyltransferase (EC 2.1.1.237)protein25240% helix, 16% strandQ49492

Ligands and binding sites

  • SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
  • ZM3 · Mycinamicin III · ligand · 2 copies · chains A, B
  • 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14300.750.8461MG, SAH, ZM3
24600.740.8357MG, SAH, ZM3

Interfaces

1 interface between chains.

  • A–B · 1140 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 4X7U · MycF mycinamicin III 3'-O-methyltransferase in complex with Mg, SAH and mycinamicin III… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q49492 · AlphaFold monomer V2.0 prediction for mycinamicin III 3''-O-methyltransferase (Q49492) · a predicted model of the same protein · chain B against A, TM-score 1.00

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