Research workbench
Holo 1L-myo-inositol-1-phosphate synthase
Analyse Holo 1L-myo-inositol-1-phosphate synthase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1JKF
- Type
- protein
- Length
- 931 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myo-inositol-1-phosphate synthase
- EC
- 5.5.1.4
- UniProt
- P11986
- Ligands
- NAD
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myo-inositol-1-phosphate synthase (EC 5.5.1.4) | protein | 466 | 32% helix, 25% strand | P11986 |
| B | Myo-inositol-1-phosphate synthase (EC 5.5.1.4) | protein | 465 | 31% helix, 24% strand | P11986 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 412 | 0.81 | 0.89 | 49 | empty |
| 2 | 501 | 0.76 | 0.84 | 78 | NAD |
| 3 | 416 | 0.73 | 0.83 | 69 | NAD |
| 4 | 256 | 0.65 | 0.83 | 44 | empty |
| 5 | 68 | 0.55 | 0.87 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 5591 Ų buried · 74 hydrogen bonds · protein-protein
Compared structures
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 P11986
- Elsewhere: RCSB PDB 1JKF · PDBe 1JKF · UniProt P11986
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