Research workbench
Crystal structure of homoaconitase large subunit from methanococcus jannaschii (MJ1003)
Analyse Crystal structure of homoaconitase large subunit from methanococcus jannaschii… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KP2
- Type
- protein
- Length
- 836 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Homoaconitase large subunit
- EC
- 4.2.1.36, 4.2.1.-
- UniProt
- Q58409
- Pockets
- 11 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Homoaconitase large subunit (EC 4.2.1.36, 4.2.1.-) | protein | 418 | 37% helix, 20% strand | Q58409 |
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1161 | 0.79 | 0.81 | 89 | empty |
| 2 | 60 | 0.66 | 0.94 | 17 | empty |
| 3 | 54 | 0.56 | 0.90 | 19 | empty |
| 4 | 228 | 0.53 | 0.77 | 27 | empty |
| 5 | 209 | 0.52 | 0.77 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1046 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4KP2 · Crystal structure of homoaconitase large subunit from methanococcus jannaschii (MJ1003) · the same entry in another collection · chain A against A, TM-score 1.00
- Q58409 · AlphaFold monomer V2.0 prediction for methanogen homoaconitase large subunit (Q58409) · a predicted model of the same protein · chain A 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 Q58409
- Elsewhere: RCSB PDB 4KP2 · PDBe 4KP2 · UniProt Q58409
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