MolNFT v1 · #144275 · protein
Crystal structure of 2-methylcitrate synthase from aspergillus fumigatus with oxaloacetate and coenzyme-a.
6BON · 2-methylcitrate synthase, mitochondrial: “Crystal structure of 2-methylcitrate synthase from aspergillus fumigatus with oxaloacetate and coenzyme-a.”. X-ray diffraction, 2 ligands (OAA, COA), 5 pockets (best druggability 0.76).…
- PDB
- 6BON
- Type
- protein
- Length
- 868 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-methylcitrate synthase, mitochondrial
- EC
- 2.3.3.5, 2.3.3.16
- UniProt
- B0YD89
- Ligands
- OAA, COA
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 63% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 2-methylcitrate synthase, mitochondrial (EC 2.3.3.5, 2.3.3.16) | protein | 434 | 63% helix, 6% strand | B0YD89 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 662 | 0.76 | 0.82 | 65 | COA, OAA |
| 2 | 1079 | 0.76 | 0.78 | 84 | OAA |
| 3 | 113 | 0.61 | 0.87 | 27 | empty |
| 4 | 65 | 0.31 | 0.75 | 21 | empty |
| 5 | 52 | 0.27 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 4691 Ų buried · 63 hydrogen bonds · protein-protein
Compared structures
- 6BON · Crystal structure of 2-methylcitrate synthase from Aspergillus fumigatus with… · the same entry in another collection · chain A against A, TM-score 1.00
- B0YD89 · AlphaFold monomer V2.0 prediction for 2-methylcitrate synthase, mitochondrial (B0YD89) · a predicted model of the same protein · 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 B0YD89
- Elsewhere: RCSB PDB 6BON · PDBe 6BON · UniProt B0YD89
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