MolNFT v1 · #77247 · protein
Crystal structure of microcin C7 self immunity acetyltransferase mcce in complex with acetyl-CoA and AMP
3R96 · Mcce protein: “Crystal structure of microcin C7 self immunity acetyltransferase mcce in complex with acetyl-CoA and AMP”. X-ray diffraction, 2 ligands (ACO, AMP), 2 pockets (best druggability 0.75). MolNFT v1 #77247 on GenesisL1: 3D…
- PDB
- 3R96
- Type
- protein
- Length
- 353 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mcce protein
- UniProt
- Q47510
- Ligands
- ACO, AMP
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mcce protein | protein | 180 | 36% helix, 37% strand | Q47510 |
| B | Mcce protein | protein | 173 | 38% helix, 36% strand | Q47510 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B
- AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1050 | 0.75 | 0.78 | 104 | ACO, AMP |
| 2 | 551 | 0.69 | 0.79 | 50 | ACO, AMP |
Interfaces
1 interface between chains.
- A–B · 281 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3R96 · Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with… · 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 Q47510
- Elsewhere: RCSB PDB 3R96 · PDBe 3R96 · UniProt Q47510
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