MolNFT v1 · #101785 · protein
Crystal structure of tvovma intein
4O1S · V-type ATP synthase alpha chain: “Crystal structure of tvovma intein”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.53). MolNFT v1 #101785 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4O1S
- Type
- protein
- Length
- 340 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- V-type ATP synthase alpha chain
- EC
- 3.6.3.14
- UniProt
- Q97CQ0
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 61% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | V-type ATP synthase alpha chain (EC 3.6.3.14) | protein | 170 | 6% helix, 61% strand | Q97CQ0 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B
- MRD · (4R)-2-methylpentane-2,4-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 182 | 0.53 | 0.78 | 22 | empty |
| 2 | 150 | 0.50 | 0.78 | 22 | SO4 |
| 3 | 51 | 0.27 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 672 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
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 Q97CQ0
- Elsewhere: RCSB PDB 4O1S · PDBe 4O1S · UniProt Q97CQ0
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