Research workbench
ADP-ALF4 complex of M. therm. TRC40
Analyse ADP-ALF4 complex of M. therm. TRC40 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZQ6
- Type
- protein
- Length
- 1,179 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative arsenical pump-driving ATPase
- EC
- 3.6.3.16
- UniProt
- O27555
- Ligands
- ADP, ALF, MG, K, ZN
- Pockets
- 10 · best druggability 0.88
Structure
x-ray diffraction · 4 distinct chains · 52% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative arsenical pump-driving ATPase (EC 3.6.3.16) | protein | 300 | 52% helix, 17% strand | O27555 |
| B | Putative arsenical pump-driving ATPase (EC 3.6.3.16) | protein | 288 | 53% helix, 17% strand | O27555 |
| C | Putative arsenical pump-driving ATPase (EC 3.6.3.16) | protein | 284 | 52% helix, 18% strand | O27555 |
| D | Putative arsenical pump-driving ATPase (EC 3.6.3.16) | protein | 307 | 53% helix, 16% strand | O27555 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 4 copies · chains A, B, C, D
- ALF · Tetrafluoroaluminate ion · ligand · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
- K · Potassium ion · metal · 4 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 521 | 0.88 | 0.94 | 79 | ADP, ALF, MG, K |
| 2 | 528 | 0.87 | 0.94 | 76 | ADP, ALF, MG, K |
| 3 | 1046 | 0.73 | 0.76 | 67 | empty |
| 4 | 896 | 0.70 | 0.75 | 63 | empty |
| 5 | 442 | 0.63 | 0.77 | 35 | empty |
Interfaces
4 interfaces between chains.
- A–B · 2483 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 2401 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 54 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 27 Ų buried · 0 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 O27555
- Elsewhere: RCSB PDB 3ZQ6 · PDBe 3ZQ6 · UniProt O27555
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.