Research workbench
Crystal structure of a myo-inositol-1-phosphate synthase-related protein (TM_1419) from thermotoga maritima MSB8 at 1.70 a resolution
Analyse Crystal structure of a myo-inositol-1-phosphate synthase-related protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CIN
- Type
- protein
- Length
- 382 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myo-inositol-1-phosphate synthase-related protein
- EC
- 5.5.1.4
- UniProt
- Q9X1D6
- Ligands
- NAD, MG, CL
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myo-inositol-1-phosphate synthase-related protein (EC 5.5.1.4) | protein | 382 | 41% helix, 19% strand | Q9X1D6 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 742 | 0.83 | 0.87 | 81 | CL, NAD |
| 2 | 114 | 0.47 | 0.79 | 22 | empty |
| 3 | 96 | 0.46 | 0.80 | 20 | empty |
| 4 | 175 | 0.46 | 0.75 | 22 | empty |
Compared structures
- 3CIN · Crystal structure of a myo-inositol-1-phosphate synthase-related protein (TM_1419) 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 Q9X1D6
- Elsewhere: RCSB PDB 3CIN · PDBe 3CIN · UniProt Q9X1D6
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