MolNFT v1 · #159843 · protein

Tetrameric structure of ACAT1

6P2P · Sterol O-acyltransferase 1: “Tetrameric structure of ACAT1”. Electron microscopy, 1 ligand (3VV), 20 pockets (best druggability 0.88). MolNFT v1 #159843 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6P2P
Type: protein
Length: 1,630 residues
Chains: 4
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: 20 · best druggability 0.88

Structure

electron microscopy · 2 distinct chains · 69% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Sterol O-acyltransferase 1 (EC 2.3.1.26)	protein	408	68% helix, 0% strand	P35610
B, D	Sterol O-acyltransferase 1 (EC 2.3.1.26)	protein	407	70% 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 · 4 copies · chains A, B, C, D

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	877	0.88	0.89	82	empty
2	1069	0.88	0.88	71	empty
3	565	0.81	0.86	65	3VV
4	246	0.74	0.87	35	3VV
5	247	0.73	0.87	29	empty

Interfaces

3 interfaces between chains.

A–B · 1968 Å² buried · 7 hydrogen bonds · protein-protein
C–D · 1964 Å² buried · 7 hydrogen bonds · protein-protein
B–D · 314 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

6P2P · Tetrameric structure of ACAT1 · the same entry in another collection · chain B against B, 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 6P2P · PDBe 6P2P · UniProt P35610

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