MolNFT v1 · #18849 · protein
Crystal structure of putidaredoxin reductase from pseudomonas putida
1Q1R: “Crystal structure of putidaredoxin reductase from pseudomonas putida”. X-ray diffraction, 1 ligand (FAD), 8 pockets (best druggability 0.83). MolNFT v1 #18849 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1Q1R
- Type
- protein
- Length
- 842 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putidaredoxin reductase
- EC
- 1.18.1.-
- UniProt
- P16640
- Ligands
- FAD
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putidaredoxin reductase (EC 1.18.1.-) | protein | 421 | 29% helix, 30% strand | P16640 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1044 | 0.83 | 0.84 | 100 | FAD |
| 2 | 1064 | 0.83 | 0.84 | 100 | FAD |
| 3 | 193 | 0.59 | 0.81 | 36 | empty |
| 4 | 281 | 0.57 | 0.77 | 36 | empty |
| 5 | 158 | 0.56 | 0.81 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 1057 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 1Q1R · Crystal Structure of Putidaredoxin Reductase from Pseudomonas putida · the same entry in another collection · chain A against A, TM-score 1.00
- P16640 · AlphaFold monomer V2.0 prediction for putidaredoxin reductase cama (P16640) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P16640
- Elsewhere: RCSB PDB 1Q1R · PDBe 1Q1R · UniProt P16640
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