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MolNFT v1 · #122108 · protein

Crystal structure of the human SF3B core complex

5IFE · Splicing factor 3B subunit 5: “Crystal structure of the human SF3B core complex”. X-ray diffraction, 2 ligands (ZN, K), 20 pockets (best druggability 0.84). MolNFT v1 #122108 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5IFE
Type
protein
Length
2,168 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Splicing factor 3B subunit 5; Splicing factor 3B subunit 1; Phd finger-like…
UniProt
Q9BWJ5, O75533, Q7RTV0, Q15393
Ligands
ZN, K
Pockets
20 · best druggability 0.84

Structure

x-ray diffraction · 4 distinct chains · 35% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BSplicing factor 3B subunit 5protein6658% helix, 0% strandQ9BWJ5
CSplicing factor 3B subunit 1protein82976% helix, 0% strandO75533
DPhd finger-like domain-containing protein 5Aprotein8912% helix, 27% strandQ7RTV0
ASplicing factor 3B subunit 3protein11847% helix, 48% strandQ15393

Ligands and binding sites

  • ZN · Zinc ion · metal · 3 copies · chains D
  • K · Potassium ion · metal · chains A

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

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111530.840.8579empty
211630.800.81127empty
38680.800.8264empty
43240.790.9045empty
511440.770.7998empty

Interfaces

5 interfaces between chains.

  • C–A · 2338 Ų buried · 19 hydrogen bonds · protein-protein
  • B–A · 2320 Ų buried · 30 hydrogen bonds · protein-protein
  • B–C · 1588 Ų buried · 22 hydrogen bonds · protein-protein
  • C–D · 1254 Ų buried · 9 hydrogen bonds · protein-protein
  • D–A · 589 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 5IFE · Crystal structure of the human SF3b core complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q7RTV0 · AlphaFold monomer V2.0 prediction for phd finger-like domain- containing protein 5A… · a predicted model of the same protein · chain D against A, TM-score 0.92
  • Q9BWJ5 · AlphaFold monomer V2.0 prediction for splicing factor 3B subunit 5 (Q9BWJ5) · a predicted model of the same protein · chain B against A, TM-score 0.91
  • Q15393 · AlphaFold monomer V2.0 prediction for splicing factor 3B subunit 3 (Q15393) · a predicted model of the same protein · chain A against A, TM-score 0.83
  • O75533 · AlphaFold monomer V2.0 prediction for splicing factor 3B subunit 1 (O75533) · a predicted model of the same protein · chain C against A, TM-score 0.81

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