MolNFT v1 · #25043 · protein
Crystal structure of a-type ATPase catalytic subunit a from pyrococcus horikoshii OT3
1VDZ · A-type ATPase subunit a: “Crystal structure of a-type ATPase catalytic subunit a from pyrococcus horikoshii OT3”. X-ray diffraction, 6 pockets (best druggability 0.74). MolNFT v1 #25043 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1VDZ
- Type
- protein
- Length
- 513 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- A-type ATPase subunit a
- EC
- 3.6.3.14
- UniProt
- O57728
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | A-type ATPase subunit a (EC 3.6.3.14) | protein | 513 | 34% helix, 19% strand | O57728 |
Ligands and binding sites
- 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
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 190 | 0.74 | 0.90 | 34 | empty |
| 2 | 299 | 0.62 | 0.80 | 28 | empty |
| 3 | 122 | 0.55 | 0.82 | 30 | MPD |
| 4 | 102 | 0.44 | 0.79 | 27 | empty |
| 5 | 59 | 0.30 | 0.75 | 19 | empty |
Compared structures
- 1VDZ · Crystal structure of A-type ATPase catalytic subunit A from Pyrococcus horikoshii OT3 · 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 1VDZ · PDBe 1VDZ · UniProt O57728
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