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MolNFT v1 · #164212 · protein + RNA

Structure of the U1A variant A1-98 Y31H/Q36R/F56W triple mutant co- crystallized with RNA

6SQN · U1 small nuclear ribonucleoprotein a: “Structure of the U1A variant A1-98 Y31H/Q36R/F56W triple mutant co- crystallized with RNA”. X-ray diffraction, 6 pockets (best druggability 0.44). MolNFT v1 #164212 on GenesisL1: 3D structure…

PDB
6SQN
Type
protein + RNA
Length
334 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
U1 small nuclear ribonucleoprotein a; RNA hairpin
UniProt
P09012
Pockets
6 · best druggability 0.44

Structure

x-ray diffraction · 4 distinct chains · 34% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BU1 small nuclear ribonucleoprotein aprotein9631% helix, 24% strandP09012
CU1 small nuclear ribonucleoprotein aprotein9536% helix, 24% strandP09012
X, YRNA hairpinrna16——
ZRNA hairpinrna15——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11330.440.7619empty
21410.430.7621empty
31760.410.7318empty
4950.400.7718empty
51730.390.7216empty

Interfaces

8 interfaces between chains.

  • A–X · 864 Ų buried · 32 hydrogen bonds · protein-nucleic
  • B–Y · 851 Ų buried · 29 hydrogen bonds · protein-nucleic
  • C–Z · 770 Ų buried · 31 hydrogen bonds · protein-nucleic
  • A–C · 655 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 563 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6SQN · Structure of the U1A variant A1-98 Y31H/Q36R/F56W triple mutant co-crystallized with RNA · the same entry in another collection · chain A against A, TM-score 1.00

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