MolNFT v1 · #177483 · protein
Crystal structure of flen in complex with fleq aaa+ doamain
7EJW · Transcriptional antiactivator flen: “Crystal structure of flen in complex with fleq aaa+ doamain”. X-ray diffraction, 2 ligands (AGS, MG), 7 pockets (best druggability 0.88). MolNFT v1 #177483 on GenesisL1: 3D structure, binding…
- PDB
- 7EJW
- Type
- protein
- Length
- 1,045 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional antiactivator flen; Transcriptional regulator fleq
- UniProt
- G3XD64, G3XCV0
- Ligands
- AGS, MG
- Pockets
- 7 · best druggability 0.88
Structure
x-ray diffraction · 4 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional antiactivator flen | protein | 274 | 47% helix, 17% strand | G3XD64 |
| B | Transcriptional antiactivator flen | protein | 265 | 48% helix, 18% strand | G3XD64 |
| C | Transcriptional regulator fleq | protein | 252 | 43% helix, 15% strand | G3XCV0 |
| D | Transcriptional regulator fleq | protein | 254 | 48% helix, 14% strand | G3XCV0 |
Ligands and binding sites
- AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B, C
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1184 | 0.88 | 0.89 | 119 | AGS, MG |
| 2 | 1197 | 0.81 | 0.83 | 89 | empty |
| 3 | 1081 | 0.80 | 0.81 | 68 | empty |
| 4 | 94 | 0.53 | 0.84 | 24 | empty |
| 5 | 196 | 0.43 | 0.73 | 27 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1512 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1457 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 1387 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7EJW · Crystal structure of FleN in complex with FleQ AAA+ doamain · the same entry in another collection · chain D against D, TM-score 1.00
- G3XD64 · AlphaFold monomer V2.0 prediction for antiactivator flen (G3XD64) · a predicted model of the same protein · chain B against A, TM-score 0.98
- G3XCV0 · AlphaFold monomer V2.0 prediction for transcriptional regulator fleq (G3XCV0) · a predicted model of the same protein · chain C against A, TM-score 0.98
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 G3XD64
- Every structure of UniProt G3XCV0
- Elsewhere: RCSB PDB 7EJW · PDBe 7EJW · UniProt G3XD64 · UniProt G3XCV0
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