Research workbench
Crystal structure of dendranthema morifolium dmat complexed with malonyl-CoA
Analyse Crystal structure of dendranthema morifolium dmat complexed with malonyl-CoA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2E1T
- Type
- protein
- Length
- 880 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl transferase
- EC
- 2.-.-.-
- UniProt
- A4PHY4
- Ligands
- MLC
- Pockets
- 11 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Acyl transferase (EC 2.-.-.-) | protein | 440 | 39% helix, 26% strand | A4PHY4 |
Ligands and binding sites
- MLC · Malonyl-coenzyme A · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 965 | 0.87 | 0.88 | 134 | MLC |
| 2 | 594 | 0.81 | 0.87 | 67 | MLC |
| 3 | 137 | 0.79 | 0.97 | 23 | empty |
| 4 | 127 | 0.79 | 0.97 | 22 | empty |
| 5 | 132 | 0.57 | 0.83 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1771 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2E1T · Crystal structure of Dendranthema morifolium DmAT complexed with malonyl-CoA · 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 A4PHY4
- Elsewhere: RCSB PDB 2E1T · PDBe 2E1T · UniProt A4PHY4
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