MolNFT v1 · #15009 · protein
Crystal structure of streptogramin a acetyltransferase with acetyl-CoA bound
1MR9: “Crystal structure of streptogramin a acetyltransferase with acetyl-CoA bound”. X-ray diffraction, 1 ligand (ACO), 3 pockets (best druggability 0.83). MolNFT v1 #15009 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1MR9
- Type
- protein
- Length
- 1,210 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Streptogramin a acetyltransferase
- EC
- 2.3.1.-
- UniProt
- P50870
- Ligands
- ACO
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 21% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, X | Streptogramin a acetyltransferase (EC 2.3.1.-) | protein | 203 | 21% helix, 22% strand | P50870 |
| C | Streptogramin a acetyltransferase (EC 2.3.1.-) | protein | 202 | 23% helix, 22% strand | P50870 |
| Y | Streptogramin a acetyltransferase (EC 2.3.1.-) | protein | 200 | 21% helix, 22% strand | P50870 |
| Z | Streptogramin a acetyltransferase (EC 2.3.1.-) | protein | 199 | 20% helix, 22% strand | P50870 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 6 copies · chains A, B, C, X, Y, Z
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 | 1071 | 0.83 | 0.84 | 135 | ACO |
| 2 | 1106 | 0.82 | 0.83 | 127 | ACO |
| 3 | 960 | 0.82 | 0.83 | 126 | ACO |
Interfaces
9 interfaces between chains.
- B–C · 1359 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1303 Ų buried · 16 hydrogen bonds · protein-protein
- X–Z · 1296 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 1273 Ų buried · 17 hydrogen bonds · protein-protein
- Y–Z · 1260 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 46 modified (engineered).
Compared structures
- 1MR9 · Crystal structure of Streptogramin A Acetyltransferase with acetyl-CoA bound · the same entry in another collection · chain Z against Z, TM-score 1.00
- P50870 · AlphaFold monomer V2.0 prediction for streptogramin a acetyltransferase (P50870) · a predicted model of the same protein · chain Y against A, TM-score 0.98
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 1MR9 · PDBe 1MR9 · UniProt P50870
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