MolNFT v1 · #145217 · protein
Wax ester SYNTHASE/DIACYLGLYCEROL acyltransferase from marinobacter aquaeolei VT8
6CHJ · Diacylglycerol O-acyltransferase: “Wax ester SYNTHASE/DIACYLGLYCEROL acyltransferase from marinobacter aquaeolei VT8”. X-ray diffraction, 1 ligand (CL), 8 pockets (best druggability 0.80). MolNFT v1 #145217 on GenesisL1: 3D…
- PDB
- 6CHJ
- Type
- protein
- Length
- 807 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Diacylglycerol O-acyltransferase
- EC
- 2.3.1.20
- UniProt
- A1TX06
- Ligands
- CL
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Diacylglycerol O-acyltransferase (EC 2.3.1.20) | protein | 396 | 35% helix, 25% strand | A1TX06 |
| B | Diacylglycerol O-acyltransferase (EC 2.3.1.20) | protein | 411 | 36% helix, 24% strand | A1TX06 |
Ligands and binding sites
- CL · Chloride ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 524 | 0.80 | 0.87 | 79 | CL |
| 2 | 929 | 0.77 | 0.80 | 62 | empty |
| 3 | 602 | 0.70 | 0.78 | 66 | empty |
| 4 | 232 | 0.48 | 0.74 | 32 | empty |
| 5 | 168 | 0.41 | 0.73 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 1164 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6CHJ · Wax ester synthase/diacylglycerol acyltransferase from Marinobacter aquaeolei VT8 · 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 A1TX06
- Elsewhere: RCSB PDB 6CHJ · PDBe 6CHJ · UniProt A1TX06
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