MolNFT v1 · #40970 · protein
Structure of GLNK1 with bound effectors indicates regulatory mechanism for ammonia uptake
2J9C · Hypothetical nitrogen regulatory pii-like protein MJ0059: “Structure of GLNK1 with bound effectors indicates regulatory mechanism for ammonia uptake”. X-ray diffraction, 3 ligands (ATP, MG, CL), 3 pockets (best druggability 0.78).…
- PDB
- 2J9C
- Type
- protein
- Length
- 351 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical nitrogen regulatory pii-like protein MJ0059
- UniProt
- Q60381
- Ligands
- ATP, MG, CL
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Hypothetical nitrogen regulatory pii-like protein MJ0059 | protein | 117 | 27% helix, 38% strand | Q60381 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 3 copies · chains A, C, B
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
- CL · Chloride ion · ion · 4 copies · chains A, B, C
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, C, B
- ACT · Acetate ion · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 355 | 0.78 | 0.88 | 47 | ATP, MG, EDO |
| 2 | 364 | 0.76 | 0.86 | 48 | ATP, MG |
| 3 | 363 | 0.76 | 0.86 | 53 | ATP, MG, CL |
Interfaces
3 interfaces between chains.
- A–C · 1427 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 1424 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 1321 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 2J9C · Structure of GlnK1 with bound effectors indicates regulatory mechanism for ammonia uptake · the same entry in another collection · chain A against A, TM-score 1.00
- Q60381 · AlphaFold monomer V2.0 prediction for uncharacterized nitrogen regulatory pii-like… · a predicted model of the same protein · chain A against A, TM-score 0.84
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 Q60381
- Elsewhere: RCSB PDB 2J9C · PDBe 2J9C · UniProt Q60381
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