Research workbench
Crystal structure of methylitaconate-delta-isomerase
Analyse Crystal structure of methylitaconate-delta-isomerase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3G7K
- Type
- protein
- Length
- 1,369 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-methylitaconate isomerase
- EC
- 5.3.3.-
- UniProt
- Q0QLE6
- Pockets
- 13 · best druggability 0.90
Structure
x-ray diffraction · 3 distinct chains · 21% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | 3-methylitaconate isomerase (EC 5.3.3.-) | protein | 379 | 23% helix, 35% strand | Q0QLE6 |
| B | 3-methylitaconate isomerase (EC 5.3.3.-) | protein | 387 | 22% helix, 36% strand | Q0QLE6 |
| C | 3-methylitaconate isomerase (EC 5.3.3.-) | protein | 224 | 16% helix, 38% strand | Q0QLE6 |
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1102 | 0.90 | 0.92 | 151 | empty |
| 2 | 66 | 0.73 | 0.98 | 24 | empty |
| 3 | 571 | 0.69 | 0.78 | 61 | empty |
| 4 | 396 | 0.63 | 0.77 | 44 | empty |
| 5 | 160 | 0.47 | 0.76 | 35 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2005 Ų buried · 47 hydrogen bonds · protein-protein
- C–D · 1966 Ų buried · 48 hydrogen bonds · protein-protein
- A–D · 765 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 752 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 179 Ų buried · 0 hydrogen bonds · protein-protein
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 Q0QLE6
- Elsewhere: RCSB PDB 3G7K · PDBe 3G7K · UniProt Q0QLE6
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