MolNFT v1 · #163898 · protein
Structure of the ADP state of the heptameric BCS1 aaa-ATPase
6SH3 · Mitochondrial chaperone BCS1: “Structure of the ADP state of the heptameric BCS1 aaa-ATPase”. Electron microscopy, 1 ligand (ADP), 20 pockets (best druggability 0.71). MolNFT v1 #163898 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6SH3
- Type
- protein
- Length
- 2,632 residues
- Chains
- 7
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitochondrial chaperone BCS1
- UniProt
- P32839
- Ligands
- ADP
- Pockets
- 20 · best druggability 0.71
Structure
electron microscopy · 1 distinct chain · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G | Mitochondrial chaperone BCS1 | protein | 376 | 38% helix, 23% strand | P32839 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 7 copies · chains A, G, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 706 | 0.71 | 0.78 | 68 | ADP |
| 2 | 795 | 0.71 | 0.77 | 74 | ADP |
| 3 | 787 | 0.71 | 0.77 | 70 | ADP |
| 4 | 742 | 0.71 | 0.77 | 64 | ADP |
| 5 | 774 | 0.70 | 0.77 | 70 | ADP |
Interfaces
7 interfaces between chains.
- F–G · 2579 Ų buried · 26 hydrogen bonds · protein-protein
- C–D · 2574 Ų buried · 24 hydrogen bonds · protein-protein
- A–G · 2548 Ų buried · 23 hydrogen bonds · protein-protein
- B–C · 2536 Ų buried · 23 hydrogen bonds · protein-protein
- D–E · 2534 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 6SH3 · Structure of the ADP state of the heptameric Bcs1 AAA-ATPase · the same entry in another collection · chain G against G, TM-score 1.00
- P32839 · AlphaFold monomer V2.0 prediction for mitochondrial chaperone BCS1 (P32839) · a predicted model of the same protein · chain B against A, TM-score 0.60
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 P32839
- Elsewhere: RCSB PDB 6SH3 · PDBe 6SH3 · UniProt P32839
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