Research workbench
Crystal structure of streptogramin a acetyltransferase with dalfopristin
Analyse Crystal structure of streptogramin a acetyltransferase with dalfopristin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1MRL
- Type
- protein
- Length
- 612 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Streptogramin a acetyltransferase
- EC
- 2.3.1.-
- UniProt
- P50870
- Ligands
- DOL
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Streptogramin a acetyltransferase (EC 2.3.1.-) | protein | 204 | 24% helix, 22% strand | P50870 |
Ligands and binding sites
- DOL · 5-(2-diethylamino-ethanesulfonyl)-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triaza-tricyclo[23.2.1.00,255]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetraone · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1017 | 0.80 | 0.82 | 95 | DOL |
| 2 | 661 | 0.74 | 0.80 | 70 | DOL |
| 3 | 626 | 0.73 | 0.79 | 66 | DOL |
Interfaces
3 interfaces between chains.
- A–B · 1325 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 1308 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 1302 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 1MRL · Crystal structure of streptogramin A acetyltransferase with dalfopristin · the same entry in another collection · chain A against A, TM-score 1.00
- P50870 · AlphaFold monomer V2.0 prediction for streptogramin a acetyltransferase (P50870) · 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 P50870
- Elsewhere: RCSB PDB 1MRL · PDBe 1MRL · UniProt P50870
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