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Crystal structure of tripartite-type ABC transporter macb from acinetobacter baumannii
Analyse Crystal structure of tripartite-type ABC transporter macb from acinetobacter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5WS4
- Type
- protein
- Length
- 1,300 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Macrolide export ATP-BINDING/PERMEASE protein macb
- EC
- 3.6.3.-
- UniProt
- A0A0D8G707
- Ligands
- AT4
- Pockets
- 15 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Macrolide export ATP-BINDING/PERMEASE protein macb (EC 3.6.3.-) | protein | 650 | 49% helix, 20% strand | A0A0D8G707 |
Ligands and binding sites
- AT4 · 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]adenosine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 869 | 0.81 | 0.84 | 78 | empty |
| 2 | 57 | 0.72 | 0.99 | 21 | empty |
| 3 | 67 | 0.70 | 0.96 | 26 | empty |
| 4 | 295 | 0.68 | 0.83 | 38 | empty |
| 5 | 596 | 0.67 | 0.76 | 55 | empty |
Interfaces
1 interface between chains.
- A–B · 2433 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 5WS4 · Crystal structure of tripartite-type ABC transporter MacB from Acinetobacter baumannii · the same entry in another collection · chain A against A, 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 A0A0D8G707
- Elsewhere: RCSB PDB 5WS4 · PDBe 5WS4 · UniProt A0A0D8G707
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