MolNFT v1 · #43244 · protein
Solution structure of the pilz domain protein PA4608 complex with C- di-gmp identifies charge clustering as molecular readout
2L74 · Putative uncharacterized protein PA4608: “Solution structure of the pilz domain protein PA4608 complex with C- di-gmp identifies charge clustering as…”. Solution nmr, 1 ligand (C2E), 1 pocket (best druggability 0.32). MolNFT v1…
- PDB
- 2L74
- Type
- protein
- Length
- 125 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein PA4608
- UniProt
- Q9HVI1
- Ligands
- C2E
- Pockets
- 1 · best druggability 0.32
Structure
solution nmr · 1 distinct chain · 18% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein PA4608 | protein | 125 | 18% helix, 40% strand | Q9HVI1 |
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
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 79 | 0.32 | 0.74 | 17 | empty |
Compared structures
- 2L74 · Solution structure of the PilZ domain protein PA4608 complex with c-di-GMP identifies… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HVI1 · AlphaFold monomer V2.0 prediction for cyclic diguanosine monophosphate-binding protein… · a predicted model of the same protein · chain A against A, TM-score 0.80
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 Q9HVI1
- Elsewhere: RCSB PDB 2L74 · PDBe 2L74 · UniProt Q9HVI1
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