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Crystal structure of human N6amt1-Trm112 in complex with SAM (space group P6122)

Analyse Crystal structure of human N6amt1-Trm112 in complex with SAM (space group P6122) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6KMR
Type
protein
Length
321 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2
Source
Homo sapiens
Molecule
Multifunctional methyltransferase subunit TRM112-like protein; Methyltransferase N6AMT1
EC
2.1.1.-, 2.1.1.72
UniProt
Q9UI30, Q9Y5N5
Ligands
SAM
Pockets
4 · best druggability 0.70

Structure

x-ray diffraction · resolution 2 · 2 distinct chains · 36% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMultifunctional methyltransferase subunit TRM112-like proteinprotein12532% helix, 22% strandQ9UI30
BMethyltransferase N6AMT1 (EC 2.1.1.-, 2.1.1.72)protein19639% helix, 29% strandQ9Y5N5

Ligands and binding sites

  • SAM · S-adenosylmethionine · ligand · chains B
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12580.700.8554SAM
21160.630.8722empty
31160.410.7618empty
4560.300.7512empty

Interfaces

1 interface between chains.

  • A–B · 1242 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 6KMR · Crystal structure of human N6AMT1-TRM112 in complex with SAM (space group P6122) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Y5N5 · AlphaFold monomer V2.0 prediction for methyltransferase N6AMT1 (Q9Y5N5) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • Q9UI30 · AlphaFold monomer V2.0 prediction for multifunctional methyltransferase subunit… · a predicted model of the same protein · chain A against A, TM-score 0.96

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