MolNFT v1 · #155333 · protein
Structure of the human sterol O-acyltransferase 1 in complex with ci- 976
6L47: “Structure of the human sterol O-acyltransferase 1 in complex with ci- 976”. Electron microscopy, 2 ligands (E5L, CLR), 13 pockets (best druggability 0.89). MolNFT v1 #155333 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6L47
- Type
- protein
- Length
- 832 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sterol O-acyltransferase 1
- EC
- 2.3.1.26
- UniProt
- P35610
- Ligands
- E5L, CLR
- Pockets
- 13 · best druggability 0.89
Structure
electron microscopy · 1 distinct chain · 70% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sterol O-acyltransferase 1 (EC 2.3.1.26) | protein | 416 | 70% helix, 0% strand | P35610 |
Ligands and binding sites
- E5L · 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide · ligand · 2 copies · chains A, B
- CLR · Cholesterol · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1200 | 0.89 | 0.89 | 82 | CLR |
| 2 | 897 | 0.86 | 0.87 | 71 | E5L |
| 3 | 874 | 0.85 | 0.87 | 71 | E5L |
| 4 | 222 | 0.64 | 0.83 | 30 | empty |
| 5 | 263 | 0.64 | 0.81 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 1782 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6L47 · Structure of the human sterol O-acyltransferase 1 in complex with CI-976 · the same entry in another collection · chain A against A, TM-score 1.00
- P35610 · AlphaFold monomer V2.0 prediction for sterol O-acyltransferase 1 (P35610) · a predicted model of the same protein · chain A 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 P35610
- Elsewhere: RCSB PDB 6L47 · PDBe 6L47 · UniProt P35610
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