MolNFT v1 · #157681 · protein
Crystal structure of ATPase DELTA1-79 SPA47 R191E
6N71 · Probable ATP synthase SPAL/MXIB: “Crystal structure of ATPase DELTA1-79 SPA47 R191E”. X-ray diffraction, 6 pockets (best druggability 0.72). MolNFT v1 #157681 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6N71
- Type
- protein
- Length
- 664 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable ATP synthase SPAL/MXIB
- EC
- 7.1.2.2
- UniProt
- P0A1C1
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable ATP synthase SPAL/MXIB (EC 7.1.2.2) | protein | 331 | 45% helix, 19% strand | P0A1C1 |
| B | Probable ATP synthase SPAL/MXIB (EC 7.1.2.2) | protein | 333 | 45% helix, 21% strand | P0A1C1 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 913 | 0.72 | 0.77 | 78 | empty |
| 2 | 168 | 0.55 | 0.81 | 35 | empty |
| 3 | 80 | 0.49 | 0.83 | 16 | empty |
| 4 | 102 | 0.47 | 0.80 | 19 | empty |
| 5 | 74 | 0.35 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 420 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 6N71 · PDBe 6N71 · UniProt P0A1C1
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