MolNFT v1 · #118305 · protein
Aaa+ ATPase fleq from pseudomonas aeruginosa bound to C-di-gmp
5EXX · Transcriptional regulator fleq: “Aaa+ ATPase fleq from pseudomonas aeruginosa bound to C-di-gmp”. X-ray diffraction, 2 ligands (C2E, SO4), 3 pockets (best druggability 0.51). MolNFT v1 #118305 on GenesisL1: 3D structure, binding…
- PDB
- 5EXX
- Type
- protein
- Length
- 256 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator fleq
- UniProt
- G3XCV0
- Ligands
- C2E, SO4
- Pockets
- 3 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator fleq | protein | 256 | 39% helix, 10% strand | G3XCV0 |
Ligands and binding sites
- C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) · ligand · 2 copies · chains A
- SO4 · Sulfate ion · ion · 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 | 85 | 0.51 | 0.83 | 21 | empty |
| 2 | 63 | 0.42 | 0.81 | 14 | SO4 |
| 3 | 76 | 0.30 | 0.73 | 14 | C2E |
Compared structures
- 5EXX · AAA+ ATPase FleQ from Pseudomonas aeruginosa bound to c-di-GMP · the same entry in another collection · chain A against A, TM-score 1.00
- G3XCV0 · AlphaFold monomer V2.0 prediction for transcriptional regulator fleq (G3XCV0) · a predicted model of the same protein · chain A 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 G3XCV0
- Elsewhere: RCSB PDB 5EXX · PDBe 5EXX · UniProt G3XCV0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.