MolNFT v1 · #32851 · protein
Structure of human mitochondrial malonyltransferase
2C2N · Malonyl CoA-acyl carrier protein transacylase: “Structure of human mitochondrial malonyltransferase”. X-ray diffraction, 5 ligands (AE4, DXE, AE3), 2 pockets (best druggability 0.68). MolNFT v1 #32851 on GenesisL1: 3D structure…
- PDB
- 2C2N
- Type
- protein
- Length
- 625 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malonyl CoA-acyl carrier protein transacylase
- UniProt
- Q8IVS2
- Ligands
- AE4, DXE, AE3, SO4, CL
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Malonyl CoA-acyl carrier protein transacylase | protein | 317 | 48% helix, 16% strand | Q8IVS2 |
| B | Malonyl CoA-acyl carrier protein transacylase | protein | 308 | 50% helix, 17% strand | Q8IVS2 |
Ligands and binding sites
- AE4 · 3,6,9,12,15-pentaoxaheptadecan-1-ol · ligand · chains A
- DXE · 1,2-dimethoxyethane · ligand · chains A
- AE3 · 2-(2-ethoxyethoxy)ethanol · ligand · chains B
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
- CL · Chloride ion · ion · chains 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 | 431 | 0.68 | 0.80 | 60 | SO4, AE4 |
| 2 | 274 | 0.63 | 0.81 | 37 | CL |
Interfaces
1 interface between chains.
- A–B · 420 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2C2N · Structure of human mitochondrial malonyltransferase · the same entry in another collection · chain A against A, TM-score 1.00
- Q8IVS2 · AlphaFold monomer V2.0 prediction for malonyl-CoA-acyl carrier protein transacylase… · a predicted model of the same protein · chain B 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 Q8IVS2
- Elsewhere: RCSB PDB 2C2N · PDBe 2C2N · UniProt Q8IVS2
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