MolNFT v1 · #74315 · protein
Structure and catalytic mechanism of bordetella bronchiseptica nicf
3OT4 · Putative isochorismatase: “Structure and catalytic mechanism of bordetella bronchiseptica nicf”. X-ray diffraction, 7 pockets (best druggability 0.88). MolNFT v1 #74315 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3OT4
- Type
- protein
- Length
- 1,585 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
- 7 · best druggability 0.88
Structure
x-ray diffraction · 5 distinct chains · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative isochorismatase (EC 3.5.1.107) | protein | 198 | 41% helix, 20% strand | Q7TTE5 |
| C, D | Putative isochorismatase (EC 3.5.1.107) | protein | 198 | 39% helix, 20% strand | Q7TTE5 |
| E | Putative isochorismatase (EC 3.5.1.107) | protein | 201 | 42% helix, 21% strand | Q7TTE5 |
| F, G | Putative isochorismatase (EC 3.5.1.107) | protein | 197 | 40% helix, 21% strand | Q7TTE5 |
| H | Putative isochorismatase (EC 3.5.1.107) | protein | 198 | 41% helix, 21% strand | Q7TTE5 |
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 814 | 0.88 | 0.90 | 88 | empty |
| 2 | 421 | 0.87 | 0.94 | 46 | empty |
| 3 | 439 | 0.87 | 0.94 | 48 | empty |
| 4 | 383 | 0.74 | 0.85 | 45 | empty |
| 5 | 419 | 0.74 | 0.84 | 48 | empty |
Interfaces
16 interfaces between chains.
- B–F · 1993 Ų buried · 29 hydrogen bonds · protein-protein
- C–E · 1978 Ų buried · 33 hydrogen bonds · protein-protein
- A–H · 1974 Ų buried · 27 hydrogen bonds · protein-protein
- D–G · 1952 Ų buried · 27 hydrogen bonds · protein-protein
- B–H · 753 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (oxidation).
Compared structures
- 3OT4 · Structure and Catalytic Mechanism of Bordetella bronchiseptica nicF · 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 3OT4 · PDBe 3OT4 · UniProt Q7TTE5
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