MolNFT v1 · #153395 · protein
Crystal structure of sulfolobus solfataricus ketol-acid reductoisomerase (sso-kari) in complex with MG2+ at PH8.5
6JD2 · Putative ketol-acid reductoisomerase 2: “Crystal structure of sulfolobus solfataricus ketol-acid reductoisomerase (sso-kari) in complex with MG2+ at…”. X-ray diffraction, 1 ligand (MG), 20 pockets (best druggability 0.80). MolNFT v1…
- PDB
- 6JD2
- Type
- protein
- Length
- 3,924 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative ketol-acid reductoisomerase 2
- EC
- 1.1.1.86
- UniProt
- Q97YJ9
- Ligands
- MG
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 7 distinct chains · 59% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative ketol-acid reductoisomerase 2 (EC 1.1.1.86) | protein | 327 | 60% helix, 13% strand | Q97YJ9 |
| B, D, E, F, H, I | Putative ketol-acid reductoisomerase 2 (EC 1.1.1.86) | protein | 326 | 59% helix, 13% strand | Q97YJ9 |
| C | Putative ketol-acid reductoisomerase 2 (EC 1.1.1.86) | protein | 327 | 59% helix, 13% strand | Q97YJ9 |
| G | Putative ketol-acid reductoisomerase 2 (EC 1.1.1.86) | protein | 328 | 59% helix, 12% strand | Q97YJ9 |
| J | Putative ketol-acid reductoisomerase 2 (EC 1.1.1.86) | protein | 329 | 59% helix, 13% strand | Q97YJ9 |
| K | Putative ketol-acid reductoisomerase 2 (EC 1.1.1.86) | protein | 328 | 59% helix, 13% strand | Q97YJ9 |
| L | Putative ketol-acid reductoisomerase 2 (EC 1.1.1.86) | protein | 329 | 59% helix, 12% strand | Q97YJ9 |
Ligands and binding sites
- MG · Magnesium ion · metal · 24 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
- BME · Beta-mercaptoethanol · additive · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 653 | 0.80 | 0.85 | 63 | MG |
| 2 | 874 | 0.79 | 0.82 | 82 | MG |
| 3 | 1114 | 0.79 | 0.81 | 105 | MG |
| 4 | 783 | 0.79 | 0.82 | 70 | MG |
| 5 | 667 | 0.79 | 0.83 | 65 | MG |
Interfaces
30 interfaces between chains.
- K–L · 5659 Ų buried · 44 hydrogen bonds · protein-protein
- I–J · 5498 Ų buried · 45 hydrogen bonds · protein-protein
- G–H · 5498 Ų buried · 42 hydrogen bonds · protein-protein
- E–F · 5400 Ų buried · 41 hydrogen bonds · protein-protein
- C–D · 5399 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 6JD2 · Crystal structure of Sulfolobus solfataricus ketol-acid reductoisomerase (Sso-KARI) in… · the same entry in another collection · chain L against L, 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 Q97YJ9
- Elsewhere: RCSB PDB 6JD2 · PDBe 6JD2 · UniProt Q97YJ9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.