Research workbench
Crystal structure of ABC transporter with complex (AQ_297) from aquifex aeolicus VF5
Analyse Crystal structure of ABC transporter with complex (AQ_297) from aquifex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2PCL
- Type
- protein
- Length
- 223 residues
- Chains
- 1
- 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
- MG, SO4
- Pockets
- 2 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipoprotein-releasing system ATP-binding protein lold (EC 3.6.3.-) | protein | 223 | 35% helix, 30% strand | O66646 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 6 copies · chains A
- EDO · 1,2-ethanediol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 200 | 0.53 | 0.78 | 27 | EDO |
| 2 | 61 | 0.30 | 0.75 | 17 | EDO |
Compared structures
- 2PCL · Crystal structure of ABC transporter with complex (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 2PCL · PDBe 2PCL · UniProt O66646
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