MolNFT v1 · #101060 · protein
Structure of the central plant immunity signaling node EDS1 in complex with its interaction partner SAG101
4NFU: “Structure of the central plant immunity signaling node EDS1 in complex with its interaction partner SAG101”. X-ray diffraction, 1 ligand (BGC), 18 pockets (best druggability 0.79). MolNFT v1 #101060 on GenesisL1: 3D structure…
- PDB
- 4NFU
- Type
- protein
- Length
- 1,143 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- EDS1; Senescence-associated carboxylesterase 101
- EC
- 3.-.-.-, 3.1.1.1
- UniProt
- Q9XF23, Q4F883
- Ligands
- BGC
- Pockets
- 18 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | EDS1 (EC 3.-.-.-) | protein | 619 | 58% helix, 9% strand | Q9XF23 |
| B | Senescence-associated carboxylesterase 101 (EC 3.1.1.1) | protein | 524 | 57% helix, 11% strand | Q4F883 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · chains A
- IPA · Isopropyl alcohol · additive · 3 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 710 | 0.79 | 0.83 | 60 | empty |
| 2 | 467 | 0.73 | 0.82 | 47 | empty |
| 3 | 736 | 0.71 | 0.77 | 69 | BGC |
| 4 | 201 | 0.70 | 0.87 | 40 | empty |
| 5 | 98 | 0.64 | 0.89 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 2222 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 4NFU · Structure of the central plant immunity signaling node EDS1 in complex with its… · the same entry in another collection · chain A against A, TM-score 1.00
- Q4F883 · AlphaFold monomer V2.0 prediction for senescence-associated carboxylesterase 101 (Q4F883) · a predicted model of the same protein · chain B against A, TM-score 0.99
- Q9XF23 · AlphaFold monomer V2.0 prediction for protein EDS1L (Q9XF23) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9XF23
- Every structure of UniProt Q4F883
- Elsewhere: RCSB PDB 4NFU · PDBe 4NFU · UniProt Q9XF23 · UniProt Q4F883
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