MolNFT v1 · #159837 · protein

Dimeric structure of ACAT1

6P2J · Sterol O-acyltransferase 1: “Dimeric structure of ACAT1”. Electron microscopy, 1 ligand (3VV), 17 pockets (best druggability 0.88). MolNFT v1 #159837 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6P2J
Type: protein
Length: 816 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: 3VV
Pockets: 17 · best druggability 0.88

Structure

electron microscopy · 2 distinct chains · 71% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sterol O-acyltransferase 1 (EC 2.3.1.26)	protein	408	71% helix, 0% strand	P35610
B	Sterol O-acyltransferase 1 (EC 2.3.1.26)	protein	408	72% helix, 0% strand	P35610

Ligands and binding sites

3VV · S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3, 5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2, 4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	838	0.88	0.90	64	empty
2	263	0.73	0.86	31	empty
3	170	0.71	0.88	28	empty
4	113	0.68	0.90	26	empty
5	260	0.68	0.83	26	empty

Interfaces

1 interface between chains.

A–B · 2093 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

6P2J · Dimeric structure of ACAT1 · 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 B against A, TM-score 0.91

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 6P2J · PDBe 6P2J · UniProt P35610

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