MolNFT v1 · #120622 · protein
Crystal structure of an engaged dimer of the geobacillus stearothermophilus smc head domain
5H68 · Chromosome partition protein smc: “Crystal structure of an engaged dimer of the geobacillus stearothermophilus smc head domain”. X-ray diffraction, 2 ligands (AGS, MG), 9 pockets (best druggability 0.80). MolNFT v1 #120622 on…
- PDB
- 5H68
- Type
- protein
- Length
- 657 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chromosome partition protein smc
- UniProt
- A0A0K2H586
- Ligands
- AGS, MG
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chromosome partition protein smc | protein | 325 | 33% helix, 25% strand | A0A0K2H586 |
| B | Chromosome partition protein smc | protein | 332 | 34% helix, 24% strand | A0A0K2H586 |
Ligands and binding sites
- AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
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 | 169 | 0.80 | 0.96 | 39 | AGS, MG |
| 2 | 133 | 0.77 | 0.96 | 38 | AGS, MG |
| 3 | 695 | 0.72 | 0.79 | 66 | empty |
| 4 | 167 | 0.50 | 0.78 | 30 | empty |
| 5 | 162 | 0.48 | 0.77 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1739 Ų buried · 45 hydrogen bonds · protein-protein
Compared structures
- 5H68 · Crystal structure of an engaged dimer of the Geobacillus stearothermophilus SMC head… · 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 A0A0K2H586
- Elsewhere: RCSB PDB 5H68 · PDBe 5H68 · UniProt A0A0K2H586
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