MolNFT v1 · #113510 · protein
Imp-bound form of the deltacbs mutant of impdh from pseudomonas aerugi
5AHM · Inosine-5'-monophosphate dehydrogenase: “Imp-bound form of the deltacbs mutant of impdh from pseudomonas aerugi”. X-ray diffraction, 2 ligands (IMP, PO4), 4 pockets (best druggability 0.77). MolNFT v1 #113510 on GenesisL1: 3D…
- PDB
- 5AHM
- Type
- protein
- Length
- 701 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
- Q9HXM5
- Ligands
- IMP, PO4
- Pockets
- 4 · best druggability 0.77
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 | 354 | 34% helix, 20% strand | Q9HXM5 |
| B | Inosine-5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 347 | 35% helix, 20% strand | Q9HXM5 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 947 | 0.77 | 0.80 | 82 | IMP |
| 2 | 356 | 0.75 | 0.86 | 38 | IMP |
| 3 | 242 | 0.53 | 0.76 | 22 | empty |
| 4 | 213 | 0.52 | 0.76 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 674 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 5AHM · IMP-bound form of the DeltaCBS mutant of IMPDH from Pseudomonas aeruginosa · 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 Q9HXM5
- Elsewhere: RCSB PDB 5AHM · PDBe 5AHM · UniProt Q9HXM5
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