MolNFT v1 · #143894 · protein

Saccharomyces cerevisiae acetohydroxyacid synthase

6BD3 · Acetolactate synthase catalytic subunit, mitochondrial: “Saccharomyces cerevisiae acetohydroxyacid synthase”. X-ray diffraction, 8 ligands (FAD, TPP, HTL), 7 pockets (best druggability 0.84). MolNFT v1 #143894 on GenesisL1: 3D…

PDB: 6BD3
Type: protein
Length: 1,096 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acetolactate synthase catalytic subunit, mitochondrial
EC: 2.2.1.6
UniProt: P07342
Ligands: FAD, TPP, HTL, K, MG, OXY, CO2, PO4
Pockets: 7 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acetolactate synthase catalytic subunit, mitochondrial (EC 2.2.1.6)	protein	538	45% helix, 17% strand	P07342
B	Acetolactate synthase catalytic subunit, mitochondrial (EC 2.2.1.6)	protein	558	40% helix, 18% strand	P07342

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
TPP · Thiamine diphosphate · ligand · chains A, B
HTL · 2-acetyl-thiamine diphosphate · ligand · chains A, B
K · Potassium ion · metal · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B
OXY · Oxygen molecule · ion · 8 copies · chains A, B
CO2 · Carbon dioxide · ion · chains A
PO4 · Phosphate ion · ion · chains A, B
ACT · Acetate ion · additive · chains B

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1040	0.84	0.85	127	OXY, CO2, MG, HTL, FAD
2	1115	0.81	0.83	122	MG, TPP, OXY, FAD, ACT
3	59	0.49	0.85	16	empty
4	71	0.46	0.83	16	empty
5	117	0.37	0.74	19	K

Interfaces

1 interface between chains.

A–B · 2365 Å² buried · 35 hydrogen bonds · protein-protein

Compared structures

6BD3 · Saccharomyces cerevisiae acetohydroxyacid synthase · the same entry in another collection · chain A against A, TM-score 1.00
P07342 · AlphaFold monomer V2.0 prediction for acetolactate synthase catalytic subunit… · 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 P07342
Elsewhere: RCSB PDB 6BD3 · PDBe 6BD3 · UniProt P07342

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