MolNFT v1 · #134257 · protein
Crystal structure of ATPase DELTA1-79 SPA47 K165A
5SYP · Probable ATP synthase SPAL/MXIB: “Crystal structure of ATPase DELTA1-79 SPA47 K165A”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.72). MolNFT v1 #134257 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5SYP
- Type
- protein
- Length
- 681 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable ATP synthase SPAL/MXIB
- EC
- 3.6.3.14
- UniProt
- P0A1C1
- Ligands
- SO4
- Pockets
- 9 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable ATP synthase SPAL/MXIB (EC 3.6.3.14) | protein | 345 | 44% helix, 19% strand | P0A1C1 |
| B | Probable ATP synthase SPAL/MXIB (EC 3.6.3.14) | protein | 336 | 46% helix, 20% strand | P0A1C1 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 873 | 0.72 | 0.77 | 91 | empty |
| 2 | 110 | 0.55 | 0.84 | 31 | SO4 |
| 3 | 182 | 0.54 | 0.79 | 35 | SO4 |
| 4 | 99 | 0.53 | 0.83 | 17 | empty |
| 5 | 106 | 0.50 | 0.81 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 377 Ų buried · 6 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 5SYP · PDBe 5SYP · UniProt P0A1C1
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