MolNFT v1 · #94368 · protein
Crystal structure of a transporter
4HUQ · Energy-coupling factor transporter ATP-binding protein ecfa…: “Crystal structure of a transporter”. X-ray diffraction, 8 pockets (best druggability 0.84). MolNFT v1 #94368 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4HUQ
- Type
- protein
- Length
- 968 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Energy-coupling factor transporter ATP-binding protein ecfa 1; Energy-coupling factor…
- EC
- 3.6.3.-
- UniProt
- Q03PY6, Q03PY5, Q03S56, Q03PY7
- Pockets
- 8 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Energy-coupling factor transporter ATP-binding protein ecfa 1 (EC 3.6.3.-) | protein | 284 | 42% helix, 21% strand | Q03PY6 |
| B | Energy-coupling factor transporter ATP-binding protein ecfa 2 (EC 3.6.3.-) | protein | 275 | 41% helix, 21% strand | Q03PY5 |
| S | Uncharacterized protein | protein | 164 | 71% helix, 2% strand | Q03S56 |
| T | Energy-coupling factor transporter transmembrane protein ecft | protein | 245 | 69% helix, 0% strand | Q03PY7 |
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1072 | 0.84 | 0.85 | 122 | empty |
| 2 | 1198 | 0.78 | 0.79 | 67 | empty |
| 3 | 577 | 0.77 | 0.83 | 72 | empty |
| 4 | 691 | 0.73 | 0.79 | 62 | empty |
| 5 | 167 | 0.68 | 0.88 | 23 | empty |
Interfaces
5 interfaces between chains.
- S–T · 2625 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1455 Ų buried · 13 hydrogen bonds · protein-protein
- B–T · 1413 Ų buried · 15 hydrogen bonds · protein-protein
- A–T · 797 Ų buried · 6 hydrogen bonds · protein-protein
- A–S · 147 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4HUQ · Crystal Structure of a transporter · the same entry in another collection · chain A against A, TM-score 1.00
- Q03PY6 · AlphaFold monomer V2.0 prediction for energy-coupling factor transporter ATP-binding… · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q03PY7 · AlphaFold monomer V2.0 prediction for energy-coupling factor transporter transmembrane… · a predicted model of the same protein · chain T against A, TM-score 0.94
- Q03PY5 · AlphaFold monomer V2.0 prediction for energy-coupling factor transporter ATP-binding… · a predicted model of the same protein · chain B against A, TM-score 0.93
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 Q03PY6
- Every structure of UniProt Q03PY5
- Every structure of UniProt Q03S56
- Every structure of UniProt Q03PY7
- Elsewhere: RCSB PDB 4HUQ · PDBe 4HUQ · UniProt Q03PY6 · UniProt Q03PY5 · UniProt Q03S56 · UniProt Q03PY7
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