MolNFT v1 · #153388 · protein
Cryo-EM structure of sulfolobus solfataricus ketol-acid reductoisomerase (sso-kari) with MG2+ at PH7.5
6JCV · Putative ketol-acid reductoisomerase 2: “Cryo-EM structure of sulfolobus solfataricus ketol-acid reductoisomerase (sso-kari) with MG2+ at PH7.5”. Electron microscopy, 1 ligand (MG), 20 pockets (best druggability 0.78). MolNFT v1…
- PDB
- 6JCV
- Type
- protein
- Length
- 3,912 residues
- Chains
- 12
- Method
- electron microscopy
- 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 0.78
Structure
electron microscopy · 1 distinct chain · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Putative ketol-acid reductoisomerase 2 (EC 1.1.1.86) | protein | 326 | 49% 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
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 679 | 0.78 | 0.83 | 61 | MG |
| 2 | 679 | 0.77 | 0.83 | 66 | MG |
| 3 | 663 | 0.77 | 0.83 | 67 | MG |
| 4 | 659 | 0.77 | 0.82 | 65 | MG |
| 5 | 688 | 0.77 | 0.82 | 68 | MG |
Interfaces
30 interfaces between chains.
- C–D · 5760 Ų buried · 36 hydrogen bonds · protein-protein
- G–H · 5757 Ų buried · 36 hydrogen bonds · protein-protein
- K–L · 5750 Ų buried · 37 hydrogen bonds · protein-protein
- I–J · 5749 Ų buried · 36 hydrogen bonds · protein-protein
- A–B · 5746 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 6JCV · Cryo-EM structure of Sulfolobus solfataricus ketol-acid reductoisomerase (Sso-KARI) with… · 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 6JCV · PDBe 6JCV · UniProt Q97YJ9
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