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MolNFT v1 · #148364 · protein + RNA

Crystal structure of the drosophila melanogaster SNF/U1-SL2 complex

6F4H · U1 small nuclear ribonucleoprotein a: “Crystal structure of the drosophila melanogaster SNF/U1-SL2 complex”. X-ray diffraction, 7 pockets (best druggability 0.53). MolNFT v1 #148364 on GenesisL1: 3D structure, binding sites and…

PDB
6F4H
Type
protein + RNA
Length
343 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
U1 small nuclear ribonucleoprotein a; U1-SL2
UniProt
P43332
Pockets
7 · best druggability 0.53

Structure

x-ray diffraction · 4 distinct chains · 31% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AU1 small nuclear ribonucleoprotein aprotein9029% helix, 26% strandP43332
B, D, FU1-SL2rna22——
CU1 small nuclear ribonucleoprotein aprotein9632% helix, 24% strandP43332
EU1 small nuclear ribonucleoprotein aprotein9132% helix, 25% strandP43332

Ligands and binding sites

  • FLC · Citrate anion · additive · 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
13800.530.7326empty
23170.510.7323FLC
32930.490.7421empty
41830.440.7425empty
5970.330.7317empty

Interfaces

7 interfaces between chains.

  • C–D · 1094 Ų buried · 37 hydrogen bonds · protein-nucleic
  • A–B · 927 Ų buried · 33 hydrogen bonds · protein-nucleic
  • E–F · 915 Ų buried · 33 hydrogen bonds · protein-nucleic
  • A–C · 602 Ų buried · 7 hydrogen bonds · protein-protein
  • A–E · 236 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 6F4H · Crystal structure of the Drosophila melanogaster SNF/U1-SL2 complex · the same entry in another collection · chain F against F, TM-score 1.00
  • P43332 · AlphaFold monomer V2.0 prediction for U1 small nuclear ribonucleoprotein a (P43332) · a predicted model of the same protein · chain E against A, TM-score 0.99

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