Research workbench
Structure of a bacterial ATM1-family ABC transporter
Analyse Structure of a bacterial ATM1-family ABC transporter in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MRR
- Type
- protein
- Length
- 1,198 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter related protein
- UniProt
- Q2G506
- Ligands
- MSE, PO4
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC transporter related protein | protein | 600 | 64% helix, 11% strand | Q2G506 |
| B | ABC transporter related protein | protein | 598 | 65% helix, 10% strand | Q2G506 |
Ligands and binding sites
- MSE · Selenomethionine · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 6 copies · chains A, B
- LDA · Lauryl dimethylamine-N-oxide · additive · 4 copies · 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, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 978 | 0.86 | 0.87 | 102 | empty |
| 2 | 382 | 0.79 | 0.88 | 36 | LDA |
| 3 | 337 | 0.78 | 0.88 | 39 | LDA |
| 4 | 162 | 0.65 | 0.86 | 23 | empty |
| 5 | 76 | 0.64 | 0.92 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 6141 Ų buried · 39 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
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 Q2G506
- Elsewhere: RCSB PDB 4MRR · PDBe 4MRR · UniProt Q2G506
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