Research workbench
Crystal structure of 2-methylcitrate synthase from aspergillus fumigatus
Analyse Crystal structure of 2-methylcitrate synthase from aspergillus fumigatus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6BOP
- Type
- protein
- Length
- 1,736 residues
- Chains
- 4
- 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
- Q50I20
- Pockets
- 16 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 63% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A, C | 2-methylcitrate synthase, mitochondrial (EC 2.3.3.5, 2.3.3.16) | protein | 434 | 63% helix, 6% strand | Q50I20 |
| D | 2-methylcitrate synthase, mitochondrial (EC 2.3.3.5, 2.3.3.16) | protein | 434 | 62% helix, 6% strand | Q50I20 |
Pockets
16 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 831 | 0.75 | 0.79 | 76 | empty |
| 2 | 482 | 0.69 | 0.80 | 50 | empty |
| 3 | 520 | 0.68 | 0.79 | 43 | empty |
| 4 | 517 | 0.67 | 0.78 | 46 | empty |
| 5 | 184 | 0.60 | 0.82 | 28 | empty |
Interfaces
3 interfaces between chains.
- B–D · 4403 Ų buried · 45 hydrogen bonds · protein-protein
- A–C · 4372 Ų buried · 43 hydrogen bonds · protein-protein
- B–A · 498 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6BOP · Crystal structure of 2-methylcitrate synthase from Aspergillus fumigatus · the same entry in another collection · chain B against B, TM-score 1.00
- Q50I20 · AlphaFold monomer V2.0 prediction for 2-methylcitrate synthase, mitochondrial (Q50I20) · a predicted model of the same protein · chain D against A, TM-score 0.99
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 Q50I20
- Elsewhere: RCSB PDB 6BOP · PDBe 6BOP · UniProt Q50I20
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