MolNFT v1 · #171645 · protein
Cryo-EM structure of the nitrilase from pseudomonas fluorescens EBC191 at 3.3 ångströms
6ZBY · Nita: “Cryo-EM structure of the nitrilase from pseudomonas fluorescens EBC191 at 3.3 ångströms”. Electron microscopy, 20 pockets (best druggability 0.81). MolNFT v1 #171645 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6ZBY
- Type
- protein
- Length
- 3,792 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nita
- UniProt
- Q5EG61
- Pockets
- 20 · best druggability 0.81
Structure
electron microscopy · 1 distinct chain · 30% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Nita | protein | 316 | 30% helix, 26% strand | Q5EG61 |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 210 | 0.81 | 0.95 | 59 | empty |
| 2 | 1010 | 0.81 | 0.82 | 113 | empty |
| 3 | 361 | 0.80 | 0.90 | 80 | empty |
| 4 | 228 | 0.79 | 0.92 | 58 | empty |
| 5 | 203 | 0.78 | 0.92 | 59 | empty |
Interfaces
25 interfaces between chains.
- B–C · 2584 Ų buried · 31 hydrogen bonds · protein-protein
- J–K · 2529 Ų buried · 34 hydrogen bonds · protein-protein
- D–E · 2517 Ų buried · 34 hydrogen bonds · protein-protein
- H–I · 2505 Ų buried · 30 hydrogen bonds · protein-protein
- F–G · 2493 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 6ZBY · Cryo-EM structure of the nitrilase from Pseudomonas fluorescens EBC191 at 3.3 Angstroms · 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 Q5EG61
- Elsewhere: RCSB PDB 6ZBY · PDBe 6ZBY · UniProt Q5EG61
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