MolNFT v1 · #68466 · protein
Crystal structure of plasmodium falciparum SIR2A (PF13_0152) in complex with AMP
3JWP · Transcriptional regulatory protein SIR2 homologue: “Crystal structure of plasmodium falciparum SIR2A (PF13_0152) in complex with AMP”. X-ray diffraction, 2 ligands (AMP, ZN), 2 pockets (best druggability 0.77). MolNFT v1 #68466 on…
- PDB
- 3JWP
- Type
- protein
- Length
- 255 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulatory protein SIR2 homologue
- UniProt
- Q8IE47
- Ligands
- AMP, ZN
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulatory protein SIR2 homologue | protein | 255 | 38% helix, 21% strand | Q8IE47 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · chains A
- ZN · Zinc ion · metal · chains A
- PGE · Triethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 482 | 0.77 | 0.85 | 60 | AMP, PGE |
| 2 | 58 | 0.26 | 0.73 | 19 | empty |
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 3JWP · Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP · the same entry in another collection · chain A against A, TM-score 1.00
- Q8IE47 · AlphaFold monomer V2.0 prediction for NAD-dependent protein deacylase SIR2A (Q8IE47) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q8IE47
- Elsewhere: RCSB PDB 3JWP · PDBe 3JWP · UniProt Q8IE47
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