MolNFT v1 · #91495 · protein
Inosine 5'-monophosphate dehydrogenase from vibrio cholerae, deletion mutant
4FEZ · Inosine-5'-monophosphate dehydrogenase: “Inosine 5'-monophosphate dehydrogenase from vibrio cholerae, deletion mutant”. X-ray diffraction, 5 pockets (best druggability 0.48). MolNFT v1 #91495 on GenesisL1: 3D structure, binding…
- PDB
- 4FEZ
- Type
- protein
- Length
- 632 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
- Q9KTW3
- Pockets
- 5 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inosine-5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 316 | 37% helix, 21% strand | Q9KTW3 |
| B | Inosine-5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 316 | 37% helix, 21% strand | Q9KTW3 |
Ligands and binding sites
- FMT · Formic acid · additive · 6 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 236 | 0.48 | 0.74 | 36 | FMT |
| 2 | 172 | 0.43 | 0.74 | 33 | FMT |
| 3 | 52 | 0.43 | 0.83 | 17 | PEG |
| 4 | 76 | 0.33 | 0.74 | 14 | empty |
| 5 | 82 | 0.32 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 553 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4FEZ · Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant · 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 Q9KTW3
- Elsewhere: RCSB PDB 4FEZ · PDBe 4FEZ · UniProt Q9KTW3
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