Research workbench
Crystal structure of putative NAD(P)H-flavin oxidoreductase from haemophilus influenzae R2866
Analyse Crystal structure of putative NAD(P)H-flavin oxidoreductase from haemophilus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7RZP
- Type
- protein
- Length
- 440 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydropteridine reductase, NAD(P)H-dependent, oxygen- insensitive
- EC
- 1.5.1.38
- UniProt
- A0A3E1R3Y4
- Ligands
- FMN, SO4
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dihydropteridine reductase, NAD(P)H-dependent, oxygen- insensitive (EC 1.5.1.38) | protein | 220 | 49% helix, 16% strand | A0A3E1R3Y4 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
- ACY · Acetic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 328 | 0.69 | 0.83 | 37 | FMN, ACY |
| 2 | 379 | 0.69 | 0.81 | 49 | ACY, FMN |
| 3 | 156 | 0.54 | 0.80 | 25 | empty |
| 4 | 148 | 0.50 | 0.79 | 28 | EDO |
Interfaces
1 interface between chains.
- A–B · 4455 Ų buried · 73 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 7RZP · Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae… · 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 A0A3E1R3Y4
- Elsewhere: RCSB PDB 7RZP · PDBe 7RZP · UniProt A0A3E1R3Y4
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