Research workbench
Crystal structure of pseudomonas aeruginosa guab (imp dehydrogenase) bound to ATP and GDP at 1.65A resolution
Analyse Crystal structure of pseudomonas aeruginosa guab (imp dehydrogenase) bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7PJI
- Type
- protein
- Length
- 888 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inosine-5'-monophosphate dehydrogenase
- EC
- 1.1.1.205
- UniProt
- A0A069Q6I8
- Ligands
- ATP, GDP, IMP, MG, K
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inosine-5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 445 | 35% helix, 20% strand | A0A069Q6I8 |
| B | Inosine-5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 443 | 35% helix, 21% strand | A0A069Q6I8 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B
- IMP · Inosinic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 357 | 0.75 | 0.86 | 38 | IMP |
| 2 | 323 | 0.72 | 0.85 | 36 | IMP |
| 3 | 843 | 0.68 | 0.75 | 90 | empty |
| 4 | 250 | 0.58 | 0.79 | 28 | GDP |
| 5 | 273 | 0.58 | 0.78 | 30 | GDP, MG |
Interfaces
1 interface between chains.
- A–B · 170 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7PJI · Crystal structure of Pseudomonas aeruginosa guaB (IMP dehydrogenase) bound to ATP and GDP… · 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 A0A069Q6I8
- Elsewhere: RCSB PDB 7PJI · PDBe 7PJI · UniProt A0A069Q6I8
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