MolNFT v1 · #87307 · protein
Structure of neurospora crassa PAN3 pseudokinase mutant
4BWX · Pab-dependent POLY(A)-specific ribonuclease subunit pan-3: “Structure of neurospora crassa PAN3 pseudokinase mutant”. X-ray diffraction, 2 ligands (AGS, MG), 11 pockets (best druggability 0.72). MolNFT v1 #87307 on GenesisL1: 3D…
- PDB
- 4BWX
- Type
- protein
- Length
- 792 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pab-dependent POLY(A)-specific ribonuclease subunit pan-3
- UniProt
- Q7SDP4
- Ligands
- AGS, MG
- Pockets
- 11 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pab-dependent POLY(A)-specific ribonuclease subunit pan-3 | protein | 395 | 46% helix, 15% strand | Q7SDP4 |
| B | Pab-dependent POLY(A)-specific ribonuclease subunit pan-3 | protein | 397 | 46% helix, 15% strand | Q7SDP4 |
Ligands and binding sites
- AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 714 | 0.72 | 0.79 | 71 | empty |
| 2 | 474 | 0.72 | 0.82 | 41 | AGS, MG |
| 3 | 524 | 0.72 | 0.80 | 47 | AGS, MG |
| 4 | 86 | 0.66 | 0.92 | 24 | empty |
| 5 | 265 | 0.51 | 0.74 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 3457 Ų buried · 44 hydrogen bonds · protein-protein
Compared structures
- 4BWX · Structure of Neurospora crassa PAN3 pseudokinase mutant · the same entry in another collection · chain A against A, TM-score 1.00
- Q7SDP4 · AlphaFold monomer V2.0 prediction for PAN2-PAN3 deadenylation complex subunit PAN3… · a predicted model of the same protein · chain A against A, TM-score 0.90
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q7SDP4
- Elsewhere: RCSB PDB 4BWX · PDBe 4BWX · UniProt Q7SDP4
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