MolNFT v1 · #188069 · protein
Cryoem structure of the (NPR1)2-(TGA3)2 complex
7TAD · Regulatory protein NPR1: “Cryoem structure of the (NPR1)2-(TGA3)2 complex”. Electron microscopy, 2 ligands (PLM, ZN), 11 pockets (best druggability 0.84). MolNFT v1 #188069 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7TAD
- Type
- protein
- Length
- 1,113 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Regulatory protein NPR1; Transcription factor TGA3
- UniProt
- P93002, Q39234
- Ligands
- PLM, ZN
- Pockets
- 11 · best druggability 0.84
Structure
electron microscopy · 3 distinct chains · 74% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Regulatory protein NPR1 | protein | 348 | 61% helix, 4% strand | P93002 |
| C | Transcription factor TGA3 | protein | 210 | 84% helix, 1% strand | Q39234 |
| D | Transcription factor TGA3 | protein | 207 | 86% helix, 1% strand | Q39234 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 244 | 0.84 | 0.95 | 46 | PLM |
| 2 | 199 | 0.82 | 0.95 | 37 | PLM |
| 3 | 663 | 0.75 | 0.81 | 78 | empty |
| 4 | 668 | 0.74 | 0.80 | 65 | empty |
| 5 | 617 | 0.68 | 0.77 | 42 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1319 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 1248 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 582 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 7TAD · CryoEM structure of the (NPR1)2-(TGA3)2 complex · the same entry in another collection · chain A against A, TM-score 1.00
- P93002 · AlphaFold monomer V2.0 prediction for regulatory protein NPR1 (P93002) · a predicted model of the same protein · chain A against A, TM-score 0.96
- Q39234 · AlphaFold monomer V2.0 prediction for transcription factor TGA3 (Q39234) · a predicted model of the same protein · chain C 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 P93002
- Every structure of UniProt Q39234
- Elsewhere: RCSB PDB 7TAD · PDBe 7TAD · UniProt P93002 · UniProt Q39234
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