MolNFT v1 · #54177 · protein
Crystal structure of transcription factor ntca from synechococcus elongatus (mercury derivative)
2XGX · Global nitrogen regulator: “Crystal structure of transcription factor ntca from synechococcus elongatus (mercury derivative)”. X-ray diffraction, 2 ligands (AKG, HG), 8 pockets (best druggability 0.72). MolNFT v1 #54177 on…
- PDB
- 2XGX
- Type
- protein
- Length
- 425 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Global nitrogen regulator
- UniProt
- P29283
- Ligands
- AKG, HG
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Global nitrogen regulator | protein | 212 | 44% helix, 27% strand | P29283 |
| B | Global nitrogen regulator | protein | 213 | 42% helix, 27% strand | P29283 |
Ligands and binding sites
- AKG · 2-oxoglutaric acid · ligand · 2 copies · chains A, B
- HG · Mercury (II) ion · metal · 2 copies · chains A, B
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.72 | 0.96 | 21 | empty |
| 2 | 68 | 0.71 | 0.97 | 19 | empty |
| 3 | 153 | 0.47 | 0.76 | 20 | empty |
| 4 | 132 | 0.42 | 0.75 | 19 | empty |
| 5 | 76 | 0.36 | 0.77 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2025 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 2XGX · Crystal structure of transcription factor NtcA from Synechococcus elongatus (mercury… · the same entry in another collection · chain A against A, TM-score 1.00
- P29283 · AlphaFold monomer V2.0 prediction for global nitrogen regulator (P29283) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P29283
- Elsewhere: RCSB PDB 2XGX · PDBe 2XGX · UniProt P29283
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