MolNFT v1 · #139457 · protein
Crystal structure of the pas-ggdef-eal domain of PA0861 from pseudomonas aeruginosa in complex with GTP
5XGD · Uncharacterized protein PA0861: “Crystal structure of the pas-ggdef-eal domain of PA0861 from pseudomonas aeruginosa in complex with GTP”. X-ray diffraction, 2 ligands (GTP, MG), 3 pockets (best druggability 0.74). MolNFT v1 #139457…
- PDB
- 5XGD
- Type
- protein
- Length
- 548 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein PA0861
- UniProt
- Q9I580
- Ligands
- GTP, MG
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein PA0861 | protein | 548 | 44% helix, 24% strand | Q9I580 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 979 | 0.74 | 0.77 | 86 | GTP, MG |
| 2 | 169 | 0.65 | 0.85 | 26 | empty |
| 3 | 53 | 0.31 | 0.76 | 14 | empty |
Compared structures
- 5XGD · Crystal structure of the PAS-GGDEF-EAL domain of PA0861 from Pseudomonas aeruginosa in… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q9I580
- Elsewhere: RCSB PDB 5XGD · PDBe 5XGD · UniProt Q9I580
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