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Crystal structure of 4-oxalomesaconate hydratase, ligj, from rhodopseudomonas palustris, northeast structural genomics target RPR66.
Analyse Crystal structure of 4-oxalomesaconate hydratase, ligj, from rhodopseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2GWG
- Type
- protein
- Length
- 655 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-oxalomesaconate hydratase
- UniProt
- Q6N0R4
- Ligands
- ZN
- Pockets
- 9 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 4-oxalomesaconate hydratase | protein | 329 | 53% helix, 11% strand | Q6N0R4 |
| B | 4-oxalomesaconate hydratase | protein | 326 | 52% helix, 10% strand | Q6N0R4 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 192 | 0.65 | 0.85 | 31 | empty |
| 2 | 236 | 0.63 | 0.82 | 34 | empty |
| 3 | 201 | 0.54 | 0.78 | 21 | empty |
| 4 | 68 | 0.45 | 0.82 | 18 | empty |
| 5 | 146 | 0.44 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1964 Ų buried · 34 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 2GWG · Crystal Structure of 4-Oxalomesaconate Hydratase, LigJ, from Rhodopseudomonas palustris… · the same entry in another collection · chain B against B, 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 Q6N0R4
- Elsewhere: RCSB PDB 2GWG · PDBe 2GWG · UniProt Q6N0R4
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