MolNFT v1 · #142096 · protein
Structure of the bacterial pathogens ATPase with substrate ATP gamma S
5ZT1 · Probable ATP synthase SPAL/MXIB: “Structure of the bacterial pathogens ATPase with substrate ATP gamma S”. X-ray diffraction, 3 ligands (AGS, MG, SO4), 9 pockets (best druggability 0.63). MolNFT v1 #142096 on GenesisL1: 3D…
- PDB
- 5ZT1
- Type
- protein
- Length
- 669 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable ATP synthase SPAL/MXIB
- EC
- 3.6.3.14
- UniProt
- P0A1C1
- Ligands
- AGS, MG, SO4
- Pockets
- 9 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Probable ATP synthase SPAL/MXIB (EC 3.6.3.14) | protein | 339 | 40% helix, 20% strand | P0A1C1 |
| A | Probable ATP synthase SPAL/MXIB (EC 3.6.3.14) | protein | 330 | 41% helix, 20% strand | P0A1C1 |
Ligands and binding sites
- AGS · Phosphothiophosphoric acid-adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · 29 copies · chains B, A
- SO4 · Sulfate ion · ion · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 209 | 0.63 | 0.83 | 29 | empty |
| 2 | 221 | 0.58 | 0.79 | 20 | empty |
| 3 | 180 | 0.54 | 0.79 | 20 | empty |
| 4 | 122 | 0.41 | 0.75 | 16 | empty |
| 5 | 92 | 0.37 | 0.75 | 15 | MG |
Interfaces
1 interface between chains.
- B–A · 611 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 5ZT1 · Structure of the bacterial pathogens ATPase with substrate ATP gamma S · the same entry in another collection · chain B against B, TM-score 1.00
- P0A1C1 · AlphaFold monomer V2.0 prediction for type 3 secretion system ATPase (P0A1C1) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P0A1C1
- Elsewhere: RCSB PDB 5ZT1 · PDBe 5ZT1 · UniProt P0A1C1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.