MolNFT v1 · #22248 · protein
Crystal structure of 2-methylcitrate dehydratase
1SZQ: “Crystal structure of 2-methylcitrate dehydratase”. X-ray diffraction, 8 pockets (best druggability 0.81). MolNFT v1 #22248 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1SZQ
- Type
- protein
- Length
- 946 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-methylcitrate dehydratase
- EC
- 4.2.1.79
- UniProt
- P77243
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 2-methylcitrate dehydratase (EC 4.2.1.79) | protein | 473 | 56% helix, 8% strand | P77243 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 416 | 0.81 | 0.90 | 70 | empty |
| 2 | 594 | 0.68 | 0.77 | 62 | empty |
| 3 | 569 | 0.65 | 0.76 | 48 | empty |
| 4 | 98 | 0.54 | 0.84 | 31 | empty |
| 5 | 93 | 0.49 | 0.82 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2323 Ų buried · 34 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
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 P77243
- Elsewhere: RCSB PDB 1SZQ · PDBe 1SZQ · UniProt P77243
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