MolNFT v1 · #76490 · protein
Crystal strucuture of an inositol monophosphatase family protein (SAS2203) from staphylococcus aureus MSSA476
3QMF: “Crystal strucuture of an inositol monophosphatase family protein (SAS2203) from staphylococcus aureus MSSA476”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.68). MolNFT v1 #76490 on GenesisL1: 3D structure…
- PDB
- 3QMF
- Type
- protein
- Length
- 502 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol monophosphatase family protein
- EC
- 3.1.3.25
- UniProt
- Q6G709
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol monophosphatase family protein (EC 3.1.3.25) | protein | 254 | 35% helix, 26% strand | Q6G709 |
| B | Inositol monophosphatase family protein (EC 3.1.3.25) | protein | 248 | 30% helix, 25% strand | Q6G709 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 527 | 0.68 | 0.79 | 46 | SO4 |
| 2 | 318 | 0.58 | 0.77 | 37 | SO4 |
| 3 | 214 | 0.47 | 0.74 | 30 | empty |
| 4 | 175 | 0.44 | 0.74 | 25 | empty |
| 5 | 57 | 0.44 | 0.82 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1423 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 3QMF · Crystal strucuture of an inositol monophosphatase family protein (SAS2203) from… · 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 Q6G709
- Elsewhere: RCSB PDB 3QMF · PDBe 3QMF · UniProt Q6G709
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