Research workbench
Crystal structure of the mitochondrial ketol-acid reductoisomerase ilvc from candida auris
Analyse Crystal structure of the mitochondrial ketol-acid reductoisomerase ilvc from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7TOC
- Type
- protein
- Length
- 718 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ketol-acid reductoisomerase, mitochondrial
- EC
- 1.1.1.86
- UniProt
- A0A510NYT4
- Ligands
- NDP, MG
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ketol-acid reductoisomerase, mitochondrial (EC 1.1.1.86) | protein | 359 | 57% helix, 13% strand | A0A510NYT4 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- MLI · Malonate ion · additive · 2 copies · chains A, B
- ACY · Acetic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 537 | 0.79 | 0.85 | 66 | MLI, NDP, MG |
| 2 | 509 | 0.77 | 0.84 | 64 | NDP, MLI, MG |
| 3 | 309 | 0.53 | 0.75 | 41 | ACY |
Interfaces
1 interface between chains.
- A–B · 6550 Ų buried · 87 hydrogen bonds · protein-protein
Compared structures
- 7TOC · Crystal Structure of the Mitochondrial Ketol-acid Reductoisomerase IlvC from Candida auris · the same entry in another collection · chain A against A, 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 A0A510NYT4
- Elsewhere: RCSB PDB 7TOC · PDBe 7TOC · UniProt A0A510NYT4
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