Research workbench
Crystal structure of the molybdenum-containing nitrate reducing fragment of pichia angusta assimilatory nitrate reductase
Analyse Crystal structure of the molybdenum-containing nitrate reducing fragment of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2BIH
- Type
- protein
- Length
- 453 residues
- Chains
- 1
- 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
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitrate reductase [NADPH] (EC 1.7.1.2) | protein | 453 | 19% helix, 30% strand | P49050 |
Ligands and binding sites
- MTV · (molybdopterin-S,S)-dioxo-thio-molybdenum(iv) · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 85 | 0.75 | 0.97 | 28 | MTV |
| 2 | 162 | 0.54 | 0.80 | 38 | empty |
| 3 | 90 | 0.46 | 0.80 | 18 | empty |
| 4 | 184 | 0.43 | 0.73 | 31 | empty |
| 5 | 123 | 0.40 | 0.75 | 19 | empty |
Compared structures
- 2BIH · crystal structure of the Molybdenum-containing nitrate reducing fragment of Pichia… · 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 2BIH · PDBe 2BIH · UniProt P49050
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