MolNFT v1 · #157686 · protein
Crystal structure of ATPase DELTA1-79 SPA47 E287R
6N76 · ATP synthase SPAL/MXIB: “Crystal structure of ATPase DELTA1-79 SPA47 E287R”. X-ray diffraction, 8 pockets (best druggability 0.69). MolNFT v1 #157686 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6N76
- Type
- protein
- Length
- 661 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP synthase SPAL/MXIB
- EC
- 7.1.2.2
- UniProt
- P0A1C1
- Pockets
- 8 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP synthase SPAL/MXIB (EC 7.1.2.2) | protein | 331 | 43% helix, 20% strand | P0A1C1 |
| B | ATP synthase SPAL/MXIB (EC 7.1.2.2) | protein | 330 | 44% helix, 20% strand | P0A1C1 |
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 722 | 0.69 | 0.77 | 66 | empty |
| 2 | 69 | 0.55 | 0.87 | 23 | empty |
| 3 | 165 | 0.51 | 0.78 | 23 | empty |
| 4 | 104 | 0.48 | 0.81 | 21 | empty |
| 5 | 63 | 0.44 | 0.82 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 362 Ų buried · 8 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 P0A1C1
- Elsewhere: RCSB PDB 6N76 · PDBe 6N76 · UniProt P0A1C1
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