MolNFT v1 · #80292 · protein
Crystal structure of inosine-5'-monophosphate dehydrogenase from bacillus anthracis str. ames
3TSB: “Crystal structure of inosine-5'-monophosphate dehydrogenase from bacillus anthracis str. ames”. X-ray diffraction, 1 ligand (PO4), 11 pockets (best druggability 0.78). MolNFT v1 #80292 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3TSB
- Type
- protein
- Length
- 924 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
- Q81W29
- Ligands
- PO4
- Pockets
- 11 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inosine-5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 490 | 37% helix, 20% strand | Q81W29 |
| B | Inosine-5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 434 | 36% helix, 18% strand | Q81W29 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 565 | 0.78 | 0.84 | 81 | PO4 |
| 2 | 564 | 0.77 | 0.83 | 80 | PO4 |
| 3 | 576 | 0.71 | 0.79 | 43 | empty |
| 4 | 274 | 0.54 | 0.75 | 25 | empty |
| 5 | 262 | 0.53 | 0.76 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1445 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 3TSB · Crystal Structure of Inosine-5'-monophosphate Dehydrogenase from Bacillus anthracis str.… · 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 Q81W29
- Elsewhere: RCSB PDB 3TSB · PDBe 3TSB · UniProt Q81W29
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