MolNFT v1 · #100787 · protein
Another flexible region at the active site of an inositol monophosphatase from zymomonas mobilis
4N81: “Another flexible region at the active site of an inositol monophosphatase from zymomonas mobilis”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.47). MolNFT v1 #100787 on GenesisL1: 3D structure, binding sites…
- PDB
- 4N81
- Type
- protein
- Length
- 253 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol monophosphatase
- EC
- 3.1.3.25
- UniProt
- Q5NMB8
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol monophosphatase (EC 3.1.3.25) | protein | 253 | 37% helix, 24% strand | Q5NMB8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 134 | 0.47 | 0.78 | 28 | SO4 |
| 2 | 71 | 0.31 | 0.75 | 14 | empty |
| 3 | 58 | 0.29 | 0.74 | 16 | empty |
Compared structures
- 4N81 · Another flexible region at the active site of an inositol monophosphatase from Zymomonas… · 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 Q5NMB8
- Elsewhere: RCSB PDB 4N81 · PDBe 4N81 · UniProt Q5NMB8
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