MolNFT v1 · #170855 · protein

Crystal structure of YTHDC1 with compound DHU_DC1_234

6YKZ: “Crystal structure of YTHDC1 with compound DHU_DC1_234”. X-ray diffraction, 2 ligands (OW8, SO4), 6 pockets (best druggability 0.55). MolNFT v1 #170855 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6YKZ
Type: protein
Length: 329 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: YTHDC1
UniProt: Q96MU7
Ligands: OW8, SO4
Pockets: 6 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	YTHDC1	protein	165	34% helix, 24% strand	Q96MU7
B	YTHDC1	protein	164	34% helix, 23% strand	Q96MU7

Ligands and binding sites

OW8 · ~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide · ligand · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 8 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	90	0.55	0.85	17	OW8
2	104	0.55	0.84	19	OW8
3	91	0.46	0.80	18	empty
4	120	0.45	0.77	15	empty
5	107	0.40	0.75	17	empty

Interfaces

1 interface between chains.

A–B · 253 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

6YKZ · Crystal structure of YTHDC1 with compound DHU_DC1_234 · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q96MU7
Elsewhere: RCSB PDB 6YKZ · PDBe 6YKZ · UniProt Q96MU7

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