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Structure of nevanimibe bound human ACAT2

Analyse Structure of nevanimibe bound human ACAT2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7N6R
Type: protein
Length: 1,500 residues
Chains: 4
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sterol O-acyltransferase 2
EC: 2.3.1.26
UniProt: O75908
Ligands: CLR, ROV, OLA
Pockets: 18 · best druggability 0.90

Structure

electron microscopy · 1 distinct chain · 71% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Sterol O-acyltransferase 2 (EC 2.3.1.26)	protein	375	71% helix, 1% strand	O75908

Ligands and binding sites

CLR · Cholesterol · ligand · 8 copies · chains A, B, C, D
ROV · nevanimibe · ligand · 4 copies · chains A, B, C, D
OLA · Oleic acid · ligand · 4 copies · chains A, B, C, D

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

Pockets

18 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1057	0.90	0.91	76	CLR
2	1189	0.90	0.91	79	CLR
3	983	0.87	0.87	83	ROV, CLR, OLA
4	966	0.87	0.87	85	ROV, OLA
5	1035	0.87	0.87	84	ROV, OLA

Interfaces

3 interfaces between chains.

C–D · 1790 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 1745 Å² buried · 10 hydrogen bonds · protein-protein
A–C · 422 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

7N6R · Structure of nevanimibe bound human ACAT2 · the same entry in another collection · chain A against A, TM-score 1.00
O75908 · AlphaFold monomer V2.0 prediction for sterol O-acyltransferase 2 (O75908) · 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 O75908
Elsewhere: RCSB PDB 7N6R · PDBe 7N6R · UniProt O75908

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