Research workbench
Crystal structure of ARI2
Analyse Crystal structure of ARI2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6K96
- Type
- protein
- Length
- 676 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Five-membered-cyclitol-phosphate synthase
- UniProt
- A0A1B4ZC85
- Ligands
- NAD, NA
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Five-membered-cyclitol-phosphate synthase | protein | 333 | 41% helix, 23% strand | A0A1B4ZC85 |
| B | Five-membered-cyclitol-phosphate synthase | protein | 343 | 41% helix, 23% strand | A0A1B4ZC85 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 698 | 0.77 | 0.82 | 64 | NAD, NA |
| 2 | 523 | 0.73 | 0.81 | 72 | NAD, NA |
| 3 | 116 | 0.53 | 0.82 | 19 | empty |
| 4 | 119 | 0.51 | 0.81 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 778 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6K96 · Crystal structure of Ari2 · 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 A0A1B4ZC85
- Elsewhere: RCSB PDB 6K96 · PDBe 6K96 · UniProt A0A1B4ZC85
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