MolNFT v1 · #92650 · protein
Structure of a stabilised cesas-6 dimer, second crystal form
4GEX · Spindle assembly abnormal protein 6: “Structure of a stabilised cesas-6 dimer, second crystal form”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.79). MolNFT v1 #92650 on GenesisL1: 3D structure, binding sites…
- PDB
- 4GEX
- Type
- protein
- Length
- 550 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spindle assembly abnormal protein 6
- UniProt
- O62479
- Ligands
- SO4
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 17% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spindle assembly abnormal protein 6 | protein | 145 | 14% helix, 51% strand | O62479 |
| B | Spindle assembly abnormal protein 6 | protein | 146 | 18% helix, 49% strand | O62479 |
| C | Spindle assembly abnormal protein 6 | protein | 139 | 17% helix, 45% strand | O62479 |
| D | Spindle assembly abnormal protein 6 | protein | 120 | 18% helix, 48% strand | O62479 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 960 | 0.79 | 0.81 | 88 | empty |
| 2 | 380 | 0.64 | 0.79 | 32 | empty |
| 3 | 261 | 0.57 | 0.77 | 20 | empty |
| 4 | 133 | 0.47 | 0.78 | 18 | empty |
| 5 | 110 | 0.37 | 0.74 | 19 | empty |
Interfaces
4 interfaces between chains.
- A–C · 549 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 513 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 342 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 289 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4GEX · Structure of a stabilised ceSAS-6 dimer, second crystal form · the same entry in another collection · chain D against D, TM-score 1.00
- O62479 · AlphaFold monomer V2.0 prediction for spindle assembly abnormal protein 6 (O62479) · a predicted model of the same protein · chain D against A, TM-score 0.96
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 O62479
- Elsewhere: RCSB PDB 4GEX · PDBe 4GEX · UniProt O62479
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