MolNFT v1 · #165884 · protein
Saccharomyces cerevisiae acetohydroxyacid synthase
6U9D · Acetolactate synthase catalytic subunit, mitochondrial: “Saccharomyces cerevisiae acetohydroxyacid synthase”. X-ray diffraction, 5 ligands (FAD, 60G, ATP), 20 pockets (best druggability 0.88). MolNFT v1 #165884 on GenesisL1: 3D…
- PDB
- 6U9D
- Type
- protein
- Length
- 10,004 residues
- Chains
- 24
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetolactate synthase catalytic subunit, mitochondrial; Acetolactate synthase small…
- EC
- 2.2.1.6
- UniProt
- P07342, B3LU66
- Ligands
- FAD, 60G, ATP, TPP, MG
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 19 distinct chains · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F, I, U | Acetolactate synthase catalytic subunit, mitochondrial (EC 2.2.1.6) | protein | 604 | 42% helix, 16% strand | P07342 |
| B | Acetolactate synthase catalytic subunit, mitochondrial (EC 2.2.1.6) | protein | 607 | 41% helix, 16% strand | P07342 |
| C | Acetolactate synthase small subunit, mitochondrial | protein | 253 | 37% helix, 25% strand | B3LU66 |
| D | Acetolactate synthase small subunit, mitochondrial | protein | 250 | 36% helix, 25% strand | B3LU66 |
| E, N | Acetolactate synthase catalytic subunit, mitochondrial (EC 2.2.1.6) | protein | 603 | 41% helix, 16% strand | P07342 |
| G | Acetolactate synthase small subunit, mitochondrial | protein | 253 | 37% helix, 25% strand | B3LU66 |
| H | Acetolactate synthase small subunit, mitochondrial | protein | 252 | 36% helix, 25% strand | B3LU66 |
| J | Acetolactate synthase catalytic subunit, mitochondrial (EC 2.2.1.6) | protein | 602 | 39% helix, 15% strand | P07342 |
| K | Acetolactate synthase small subunit, mitochondrial | protein | 245 | 34% helix, 20% strand | B3LU66 |
| L | Acetolactate synthase small subunit, mitochondrial | protein | 255 | 37% helix, 25% strand | B3LU66 |
| M, V | Acetolactate synthase catalytic subunit, mitochondrial (EC 2.2.1.6) | protein | 605 | 40% helix, 15% strand | P07342 |
| O | Acetolactate synthase small subunit, mitochondrial | protein | 237 | 36% helix, 26% strand | B3LU66 |
| P | Acetolactate synthase small subunit, mitochondrial | protein | 243 | 35% helix, 28% strand | B3LU66 |
| Q | Acetolactate synthase catalytic subunit, mitochondrial (EC 2.2.1.6) | protein | 598 | 41% helix, 15% strand | P07342 |
| R | Acetolactate synthase catalytic subunit, mitochondrial (EC 2.2.1.6) | protein | 416 | 37% helix, 16% strand | P07342 |
| S | Acetolactate synthase small subunit, mitochondrial | protein | 244 | 33% helix, 27% strand | B3LU66 |
| T | Acetolactate synthase small subunit, mitochondrial | protein | 232 | 37% helix, 28% strand | B3LU66 |
| W | Acetolactate synthase small subunit, mitochondrial | protein | 245 | 35% helix, 24% strand | B3LU66 |
| X | Acetolactate synthase small subunit, mitochondrial | protein | 240 | 37% helix, 25% strand | B3LU66 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 12 copies · chains A, B, E, F, I, J, M, N, Q, R, U, V
- 60G · methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate · ligand · 12 copies · chains A, B, E, F, I, J, M, N, Q, R, U, V
- ATP · Adenosine-5'-triphosphate · ligand · 12 copies · chains C, O, P, D, G, H, K, L, S, T, W, X
- TPP · Thiamine diphosphate · ligand · 11 copies · chains A, B, E, F, I, J, M, N, Q, R, U, V
- MG · Magnesium ion · metal · 16 copies · chains A, B, C, P, D, G, E, F, H, K, I, J, L, O, M, N, Q, U, V, T, W
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 732 | 0.88 | 0.92 | 112 | empty |
| 2 | 1059 | 0.88 | 0.90 | 148 | empty |
| 3 | 795 | 0.88 | 0.91 | 121 | empty |
| 4 | 912 | 0.86 | 0.88 | 116 | TPP, MG, FAD, 60G |
| 5 | 879 | 0.86 | 0.88 | 112 | TPP, MG, FAD, 60G |
Interfaces
73 interfaces between chains.
- E–F · 3343 Ų buried · 42 hydrogen bonds · protein-protein
- M–N · 3276 Ų buried · 42 hydrogen bonds · protein-protein
- U–V · 3266 Ų buried · 38 hydrogen bonds · protein-protein
- A–B · 3247 Ų buried · 38 hydrogen bonds · protein-protein
- I–J · 3242 Ų buried · 37 hydrogen bonds · protein-protein
Compared structures
- 6U9D · Saccharomyces cerevisiae acetohydroxyacid synthase · the same entry in another collection · chain K against K, TM-score 1.00
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
- Every structure of UniProt B3LU66
- Elsewhere: RCSB PDB 6U9D · PDBe 6U9D · UniProt P07342 · UniProt B3LU66
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.