MolNFT v1 · #47896 · protein
Crystal structure of ABC transporter (AQ_297) from aquifex aeolicus VF5
2PCJ · Lipoprotein-releasing system ATP-binding protein lold: “Crystal structure of ABC transporter (AQ_297) from aquifex aeolicus VF5”. X-ray diffraction, 1 ligand (SO3), 4 pockets (best druggability 0.79). MolNFT v1 #47896 on GenesisL1…
- PDB
- 2PCJ
- Type
- protein
- Length
- 446 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipoprotein-releasing system ATP-binding protein lold
- EC
- 3.6.3.-
- UniProt
- O66646
- Ligands
- SO3
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lipoprotein-releasing system ATP-binding protein lold (EC 3.6.3.-) | protein | 223 | 35% helix, 29% strand | O66646 |
Ligands and binding sites
- SO3 · Sulfite ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 628 | 0.79 | 0.84 | 69 | SO3 |
| 2 | 256 | 0.71 | 0.86 | 27 | empty |
| 3 | 100 | 0.42 | 0.77 | 13 | empty |
| 4 | 105 | 0.40 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 685 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2PCJ · Crystal structure of ABC transporter (aq_297) From Aquifex Aeolicus VF5 · the same entry in another collection · chain A against A, TM-score 1.00
- O66646 · AlphaFold monomer V2.0 prediction for lipoprotein-releasing system ATP-binding protein… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O66646
- Elsewhere: RCSB PDB 2PCJ · PDBe 2PCJ · UniProt O66646
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