MolNFT v1 · #172892 · protein
Opua (E190Q) occluded
7AHD · ABC-type PROLINE/GLYCINE betaine transport system ATPase…: “Opua (E190Q) occluded”. Electron microscopy, 2 ligands (ATP, BET), 20 pockets (best druggability 0.80). MolNFT v1 #172892 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7AHD
- Type
- protein
- Length
- 1,361 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC-type PROLINE/GLYCINE betaine transport system ATPase component; ABC transporter…
- UniProt
- A0A0R2NIU5, A0A0V8ETW8
- Ligands
- ATP, BET
- Pockets
- 20 · best druggability 0.80
Structure
electron microscopy · 3 distinct chains · 64% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, D | ABC-type PROLINE/GLYCINE betaine transport system ATPase component | protein | 260 | 42% helix, 22% strand | A0A0R2NIU5 |
| A | ABC transporter permease subunit | protein | 547 | 65% helix, 11% strand | A0A0V8ETW8 |
| B | ABC transporter permease subunit | protein | 294 | 83% helix, 0% strand | A0A0V8ETW8 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains C, D
- BET · Trimethyl glycine · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 180 | 0.80 | 0.95 | 32 | empty |
| 2 | 891 | 0.80 | 0.83 | 100 | ATP |
| 3 | 92 | 0.77 | 0.98 | 21 | BET |
| 4 | 295 | 0.70 | 0.84 | 44 | empty |
| 5 | 244 | 0.64 | 0.82 | 33 | empty |
Interfaces
4 interfaces between chains.
- A–B · 3464 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1226 Ų buried · 6 hydrogen bonds · protein-protein
- C–B · 866 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 858 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 7AHD · OpuA (E190Q) occluded · the same entry in another collection · chain C against C, TM-score 1.00
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 A0A0R2NIU5
- Every structure of UniProt A0A0V8ETW8
- Elsewhere: RCSB PDB 7AHD · PDBe 7AHD · UniProt A0A0R2NIU5 · UniProt A0A0V8ETW8
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