MolNFT v1 · #61417 · protein
Crystal structure of dnr from pseudomonas aeruginosa.
3DKW · Dnr protein: “Crystal structure of dnr from pseudomonas aeruginosa.”. X-ray diffraction, 20 pockets (best druggability 0.86). MolNFT v1 #61417 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3DKW
- Type
- protein
- Length
- 2,270 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dnr protein
- UniProt
- Q51441
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J | Dnr protein | protein | 227 | 37% helix, 18% strand | Q51441 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1042 | 0.86 | 0.87 | 123 | empty |
| 2 | 1158 | 0.84 | 0.85 | 136 | empty |
| 3 | 1200 | 0.81 | 0.82 | 101 | empty |
| 4 | 802 | 0.81 | 0.84 | 67 | empty |
| 5 | 571 | 0.79 | 0.85 | 47 | empty |
Interfaces
24 interfaces between chains.
- C–D · 2269 Ų buried · 26 hydrogen bonds · protein-protein
- E–F · 2243 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 2106 Ų buried · 20 hydrogen bonds · protein-protein
- I–J · 2076 Ų buried · 16 hydrogen bonds · protein-protein
- G–H · 1971 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3DKW · Crystal Structure of DNR from Pseudomonas aeruginosa. · 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 Q51441
- Elsewhere: RCSB PDB 3DKW · PDBe 3DKW · UniProt Q51441
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