MolNFT v1 · #32179 · protein
Crystal structure of nitrate-reducing fragment of assimilatory nitrate reductase from pichia angusta
2BII · Nitrate reductase [NADPH]: “Crystal structure of nitrate-reducing fragment of assimilatory nitrate reductase from pichia angusta”. X-ray diffraction, 3 ligands (MTV, NA, SO4), 7 pockets (best druggability 0.75). MolNFT v1 #32179 on…
- PDB
- 2BII
- Type
- protein
- Length
- 830 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitrate reductase [NADPH]
- EC
- 1.7.1.2
- UniProt
- P49050
- Ligands
- MTV, NA, SO4
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nitrate reductase [NADPH] (EC 1.7.1.2) | protein | 415 | 20% helix, 33% strand | P49050 |
Ligands and binding sites
- MTV · (molybdopterin-S,S)-dioxo-thio-molybdenum(iv) · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- GOL · Glycerol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 86 | 0.75 | 0.97 | 25 | MTV |
| 2 | 245 | 0.64 | 0.82 | 46 | SO4, MTV |
| 3 | 87 | 0.49 | 0.82 | 20 | GOL |
| 4 | 204 | 0.47 | 0.74 | 33 | empty |
| 5 | 158 | 0.46 | 0.76 | 28 | SO4 |
Compared structures
- 2BII · crystal structure of nitrate-reducing fragment of assimilatory nitrate reductase from… · the same entry in another collection · chain A against A, TM-score 1.00
- P49050 · AlphaFold monomer V2.0 prediction for nitrate reductase [NADPH] (P49050) · a predicted model of the same protein · 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 P49050
- Elsewhere: RCSB PDB 2BII · PDBe 2BII · UniProt P49050
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