MolNFT v1 · #110275 · protein
Pilz domain with C-di-gmp of a protein from pseudomonas aeruginosa
4XRN · Alginate biosynthesis protein ALG44: “Pilz domain with C-di-gmp of a protein from pseudomonas aeruginosa”. X-ray diffraction, 2 ligands (C2E, ZN), 6 pockets (best druggability 0.71). MolNFT v1 #110275 on GenesisL1: 3D structure…
- PDB
- 4XRN
- Type
- protein
- Length
- 421 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alginate biosynthesis protein ALG44
- UniProt
- Q9HY69
- Ligands
- C2E, ZN
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 13% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alginate biosynthesis protein ALG44 | protein | 104 | 11% helix, 51% strand | Q9HY69 |
| B | Alginate biosynthesis protein ALG44 | protein | 103 | 12% helix, 50% strand | Q9HY69 |
| C | Alginate biosynthesis protein ALG44 | protein | 108 | 16% helix, 47% strand | Q9HY69 |
| D | Alginate biosynthesis protein ALG44 | protein | 106 | 13% helix, 50% strand | Q9HY69 |
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 · 12 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 10 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 198 | 0.71 | 0.87 | 22 | empty |
| 2 | 193 | 0.62 | 0.82 | 28 | empty |
| 3 | 185 | 0.45 | 0.75 | 20 | C2E |
| 4 | 190 | 0.45 | 0.75 | 23 | C2E |
| 5 | 66 | 0.33 | 0.76 | 16 | C2E |
Interfaces
3 interfaces between chains.
- A–C · 831 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 771 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 238 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
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 Q9HY69
- Elsewhere: RCSB PDB 4XRN · PDBe 4XRN · UniProt Q9HY69
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.