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Biosynthetic thiolase, inactive C89A mutant

Analyse Biosynthetic thiolase, inactive C89A mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1M3K
Type: protein
Length: 1,568 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acetyl-CoA acetyltransferase
EC: 2.3.1.9
UniProt: P07097
Ligands: SO4
Pockets: 18 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Acetyl-CoA acetyltransferase (EC 2.3.1.9)	protein	392	38% helix, 23% strand	P07097

Ligands and binding sites

SO4 · Sulfate ion · ion · 4 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	131	0.80	0.98	36	empty
2	118	0.79	0.98	37	empty
3	161	0.63	0.84	28	GOL
4	162	0.62	0.84	29	empty
5	181	0.62	0.83	31	GOL

Interfaces

6 interfaces between chains.

C–D · 2674 Å² buried · 70 hydrogen bonds · protein-protein
A–B · 2640 Å² buried · 76 hydrogen bonds · protein-protein
B–C · 677 Å² buried · 11 hydrogen bonds · protein-protein
A–D · 641 Å² buried · 11 hydrogen bonds · protein-protein
B–D · 310 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

1M3K · biosynthetic thiolase, inactive C89A mutant · the same entry in another collection · chain A against A, TM-score 1.00
P07097 · AlphaFold monomer V2.0 prediction for acetyl-CoA acetyltransferase (P07097) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P07097
Elsewhere: RCSB PDB 1M3K · PDBe 1M3K · UniProt P07097

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