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Crystal structure of human fibrillarin in complex with compound 2 from single soak

Analyse Crystal structure of human fibrillarin in complex with compound 2 from single… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7SEB
Type
protein
Length
229 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RRNA 2'-O-methyltransferase fibrillarin
EC
2.1.1.-
UniProt
P22087
Ligands
8XF
Pockets
1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARRNA 2'-O-methyltransferase fibrillarin (EC 2.1.1.-)protein22928% helix, 31% strandP22087

Ligands and binding sites

  • 8XF · 6-(trifluoromethyl)pyrimidin-4-amine · ligand · chains A
  • FMT · Formic acid · additive · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11040.500.81258XF, FMT

Compared structures

  • 7SEB · Crystal structure of human Fibrillarin in complex with compound 2 from single soak · the same entry in another collection · chain A against A, TM-score 1.00
  • P22087 · AlphaFold monomer V2.0 prediction for rRNA 2'-O-methyltransferase fibrillarin (P22087) · a predicted model of the same protein · chain A against A, TM-score 0.97

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