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MolNFT v1 · #132468 · protein

Pandda analysis group deposition -- AAR2/RNASEH in complex with fragment F2X-entry B03, dmso-free

5R09 · Pre-mRNA-splicing factor 8: “Pandda analysis group deposition -- AAR2/RNASEH in complex with fragment F2X-entry B03, dmso-free”. X-ray diffraction, 1 ligand (SYG), 6 pockets (best druggability 0.41). MolNFT v1 #132468 on GenesisL1…

PDB
5R09
Type
protein
Length
537 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pre-mRNA-splicing factor 8; A1 cistron-splicing factor AAR2
UniProt
P33334, P32357
Ligands
SYG
Pockets
6 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APre-mRNA-splicing factor 8protein23746% helix, 20% strandP33334
BA1 cistron-splicing factor AAR2protein30044% helix, 20% strandP32357

Ligands and binding sites

  • SYG · 2-[(1~{S})-1-azanylpropyl]phenol · ligand · chains 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11230.410.7616empty
2800.390.7817empty
3790.380.7715empty
41040.350.7318empty
5920.340.7419empty

Interfaces

1 interface between chains.

  • A–B · 478 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5R09 · PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B03… · the same entry in another collection · chain A against A, TM-score 1.00
  • P32357 · AlphaFold monomer V2.0 prediction for A1 cistron-splicing factor AAR2 (P32357) · a predicted model of the same protein · chain B against A, TM-score 1.00

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