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MolNFT v1 · #171669 · protein

Crystal structure of YTHDC1 with M6A

6ZCN: “Crystal structure of YTHDC1 with M6A”. X-ray diffraction, 2 ligands (6MZ, SO4), 7 pockets (best druggability 0.57). MolNFT v1 #171669 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6ZCN
Type
protein
Length
328 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
YTHDC1
UniProt
Q96MU7
Ligands
6MZ, SO4
Pockets
7 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BYTHDC1protein16434% helix, 24% strandQ96MU7

Ligands and binding sites

  • 6MZ · N6-methyladenosine-5'-monophosphate · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 6 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1700.570.88176MZ
2800.510.84166MZ
3840.460.8119empty
41140.430.7716empty
5920.400.7716empty

Interfaces

1 interface between chains.

  • A–B · 269 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6ZCN · Crystal structure of YTHDC1 with m6A · the same entry in another collection · chain A against A, TM-score 1.00

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