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Structure and catalytic mechanism of the vitamin B3 degradative enzyme maleamate amidohydrolase from bordetalla bronchiseptica RB50
Analyse Structure and catalytic mechanism of the vitamin B3 degradative enzyme… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UAO
- Type
- protein
- Length
- 1,597 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative isochorismatase
- EC
- 3.5.1.107
- UniProt
- Q7TTE5
- Pockets
- 6 · best druggability 0.88
Structure
x-ray diffraction · 6 distinct chains · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative isochorismatase (EC 3.5.1.107) | protein | 200 | 42% helix, 21% strand | Q7TTE5 |
| B | Putative isochorismatase (EC 3.5.1.107) | protein | 200 | 41% helix, 21% strand | Q7TTE5 |
| C, E | Putative isochorismatase (EC 3.5.1.107) | protein | 201 | 42% helix, 21% strand | Q7TTE5 |
| D | Putative isochorismatase (EC 3.5.1.107) | protein | 200 | 41% helix, 21% strand | Q7TTE5 |
| F | Putative isochorismatase (EC 3.5.1.107) | protein | 199 | 42% helix, 21% strand | Q7TTE5 |
| G, H | Putative isochorismatase (EC 3.5.1.107) | protein | 198 | 41% helix, 20% strand | Q7TTE5 |
Ligands and binding sites
- ACT · Acetate ion · additive · 16 copies · chains A, H, B, F, C, E, D, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 454 | 0.88 | 0.95 | 48 | empty |
| 2 | 846 | 0.88 | 0.90 | 94 | empty |
| 3 | 463 | 0.87 | 0.94 | 50 | empty |
| 4 | 426 | 0.74 | 0.84 | 45 | empty |
| 5 | 413 | 0.74 | 0.84 | 45 | empty |
Interfaces
16 interfaces between chains.
- A–H · 2021 Ų buried · 27 hydrogen bonds · protein-protein
- C–E · 2008 Ų buried · 28 hydrogen bonds · protein-protein
- B–F · 1974 Ų buried · 27 hydrogen bonds · protein-protein
- D–G · 1966 Ų buried · 28 hydrogen bonds · protein-protein
- B–H · 770 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified, 3 covalent (oxidation, additive adduct).
Compared structures
- 3UAO · Structure and Catalytic Mechanism of the Vitamin B3 Degradative Enzyme Maleamate… · the same entry in another collection · chain A against A, 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 Q7TTE5
- Elsewhere: RCSB PDB 3UAO · PDBe 3UAO · UniProt Q7TTE5
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