MolNFT v1 · #63106 · protein
Crystal structure of the E. COLI histidine kinase narx sensor domain in complex with nitrate
3EZH · NITRATE/NITRITE sensor protein narx: “Crystal structure of the E. COLI histidine kinase narx sensor domain in complex with nitrate”. X-ray diffraction, 1 ligand (NO3), 2 pockets (best druggability 0.33). MolNFT v1 #63106 on…
- PDB
- 3EZH
- Type
- protein
- Length
- 227 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NITRATE/NITRITE sensor protein narx
- EC
- 2.7.13.3
- UniProt
- P0AFA2
- Ligands
- NO3
- Pockets
- 2 · best druggability 0.33
Structure
x-ray diffraction · 2 distinct chains · 85% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NITRATE/NITRITE sensor protein narx (EC 2.7.13.3) | protein | 114 | 83% helix, 0% strand | P0AFA2 |
| B | NITRATE/NITRITE sensor protein narx (EC 2.7.13.3) | protein | 113 | 86% helix, 0% strand | P0AFA2 |
Ligands and binding sites
- NO3 · Nitrate ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.33 | 0.76 | 18 | empty |
| 2 | 58 | 0.27 | 0.73 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1024 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3EZH · Crystal Structure of the E. coli Histidine Kinase NarX Sensor Domain in Complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P0AFA2 · AlphaFold monomer V2.0 prediction for NITRATE/NITRITE sensor protein narx (P0AFA2) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P0AFA2
- Elsewhere: RCSB PDB 3EZH · PDBe 3EZH · UniProt P0AFA2
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