MolNFT v1 · #138956 · protein
Crystal structure of subunit a mutant P235A/S238C of the a-ATP synthase from pyrococcus horikoshii OT3
5X09 · V-type ATP synthase alpha CHAIN,V-type ATP synthase alpha…: “Crystal structure of subunit a mutant P235A/S238C of the a-ATP synthase from pyrococcus horikoshii OT3”. X-ray diffraction, 7 pockets (best druggability 0.70). MolNFT v1…
- PDB
- 5X09
- Type
- protein
- Length
- 530 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- V-type ATP synthase alpha CHAIN,V-type ATP synthase alpha chain
- EC
- 3.6.3.14
- UniProt
- O57728
- Pockets
- 7 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | V-type ATP synthase alpha CHAIN,V-type ATP synthase alpha chain (EC 3.6.3.14) | protein | 530 | 33% helix, 18% strand | O57728 |
Ligands and binding sites
- ACY · Acetic acid · additive · 2 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 485 | 0.70 | 0.80 | 54 | empty |
| 2 | 144 | 0.61 | 0.84 | 24 | empty |
| 3 | 64 | 0.38 | 0.79 | 21 | empty |
| 4 | 67 | 0.33 | 0.76 | 19 | empty |
| 5 | 75 | 0.32 | 0.74 | 15 | empty |
Compared structures
- 5X09 · Crystal structure of subunit A mutant P235A/S238C of the A-ATP synthase from pyrococcus… · the same entry in another collection · chain A against A, TM-score 1.00
- O57728 · AlphaFold monomer V2.0 prediction for V-type ATP synthase alpha chain (O57728) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 O57728
- Elsewhere: RCSB PDB 5X09 · PDBe 5X09 · UniProt O57728
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