MolNFT v1 · #113023 · protein
Crystal structure of mtpap N472D mutant in complex with atpgammas
5A30 · Mitochondrial protein: “Crystal structure of mtpap N472D mutant in complex with atpgammas”. X-ray diffraction, 2 ligands (AGS, MG), 11 pockets (best druggability 0.69). MolNFT v1 #113023 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5A30
- Type
- protein
- Length
- 927 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitochondrial protein
- UniProt
- F1NBW0
- Ligands
- AGS, MG
- Pockets
- 11 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitochondrial protein | protein | 463 | 40% helix, 18% strand | F1NBW0 |
| B | Mitochondrial protein | protein | 464 | 40% helix, 18% strand | F1NBW0 |
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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 770 | 0.69 | 0.76 | 62 | MG, AGS |
| 2 | 703 | 0.69 | 0.76 | 57 | AGS |
| 3 | 160 | 0.47 | 0.76 | 26 | empty |
| 4 | 194 | 0.46 | 0.75 | 19 | empty |
| 5 | 118 | 0.46 | 0.79 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 3288 Ų buried · 34 hydrogen bonds · protein-protein
Compared structures
- 5A30 · Crystal structure of mtPAP N472D mutant in complex with ATPgammaS · the same entry in another collection · chain A against A, TM-score 1.00
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 F1NBW0
- Elsewhere: RCSB PDB 5A30 · PDBe 5A30 · UniProt F1NBW0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.