MolNFT v1 · #153389 · protein
Cryo-EM structure of sulfolobus solfataricus ketol-acid reductoisomerase (sso-kari) with MG2+ at PH8.5
6JCW: “Cryo-EM structure of sulfolobus solfataricus ketol-acid reductoisomerase (sso-kari) with MG2+ at PH8.5”. Electron microscopy, 1 ligand (MG), 20 pockets (best druggability 0.78). MolNFT v1 #153389 on GenesisL1: 3D structure, binding…
- PDB
- 6JCW
- Type
- protein
- Length
- 3,912 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ketol-acid reductoisomerase
- UniProt
- Q97YJ9
- Ligands
- MG
- Pockets
- 20 · best druggability 0.78
Structure
electron microscopy · 1 distinct chain · 48% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Ketol-acid reductoisomerase | protein | 326 | 48% 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 | 915 | 0.78 | 0.80 | 74 | MG |
| 2 | 933 | 0.77 | 0.80 | 79 | MG |
| 3 | 893 | 0.77 | 0.80 | 64 | MG |
| 4 | 911 | 0.77 | 0.80 | 78 | MG |
| 5 | 883 | 0.77 | 0.80 | 74 | MG |
Interfaces
30 interfaces between chains.
- E–F · 5676 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 5667 Ų buried · 28 hydrogen bonds · protein-protein
- K–L · 5666 Ų buried · 29 hydrogen bonds · protein-protein
- C–D · 5664 Ų buried · 29 hydrogen bonds · protein-protein
- G–H · 5663 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 6JCW · 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 6JCW · PDBe 6JCW · UniProt Q97YJ9
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