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Crystal structure of HMETTL16 catalytic domain in complex with MAT2A 3'UTR hairpin 1

Analyse Crystal structure of HMETTL16 catalytic domain in complex with MAT2A 3'UTR… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6DU4
Type
protein + RNA
Length
316 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase; HP1X-RNA (29-mer)
EC
2.1.1.346, 2.1.1.62
UniProt
Q86W50
Pockets
8 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AU6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase (EC 2.1.1.346, 2.1.1.62)protein28737% helix, 18% strandQ86W50
BHP1X-RNA (29-mer)rna29——

Ligands and binding sites

  • GOL · Glycerol · additive · 2 copies · chains A, B
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11430.440.7627empty
22150.410.7218TRS
3730.400.8018empty
4940.370.7516empty
5800.320.7416empty

Interfaces

1 interface between chains.

  • A–B · 2022 Ų buried · 54 hydrogen bonds · protein-nucleic

Compared structures

  • 6DU4 · Crystal structure of hMettl16 catalytic domain in complex with MAT2A 3'UTR hairpin 1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q86W50 · AlphaFold monomer V2.0 prediction for RNA N6-adenosine- methyltransferase METTL16 (Q86W50) · a predicted model of the same protein · chain A against A, TM-score 0.99

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