MolNFT v1 · #46021 · protein
Crystal structure of the E. COLI ammonia channel amtb complexed with the signal transduction protein glnk
2NS1: “Crystal structure of the E. COLI ammonia channel amtb complexed with the signal transduction protein glnk”. X-ray diffraction, 1 ligand (ADP), 3 pockets (best druggability 0.64). MolNFT v1 #46021 on GenesisL1: 3D structure, binding…
- PDB
- 2NS1
- Type
- protein
- Length
- 517 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ammonia channel; Nitrogen regulatory protein P-II 2
- UniProt
- P69681, P0AC55
- Ligands
- ADP
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 63% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ammonia channel | protein | 404 | 72% helix, 1% strand | P69681 |
| B | Nitrogen regulatory protein P-II 2 | protein | 113 | 28% helix, 36% strand | P0AC55 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains B
- BOG · octyl beta-D-glucopyranoside · additive · 8 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 246 | 0.64 | 0.82 | 32 | empty |
| 2 | 171 | 0.46 | 0.75 | 25 | TRS |
| 3 | 75 | 0.36 | 0.76 | 15 | ADP |
Interfaces
1 interface between chains.
- A–B · 532 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2NS1 · Crystal structure of the e. coli ammonia channel AMTB complexed with the signal… · the same entry in another collection · chain A against A, TM-score 1.00
- P69681 · AlphaFold monomer V2.0 prediction for ammonia channel (P69681) · a predicted model of the same protein · chain A against A, TM-score 1.00
- P0AC55 · AlphaFold monomer V2.0 prediction for nitrogen regulatory protein P-II 2 (P0AC55) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 P69681
- Every structure of UniProt P0AC55
- Elsewhere: RCSB PDB 2NS1 · PDBe 2NS1 · UniProt P69681 · UniProt P0AC55
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