MolNFT v1 · #107744 · protein
Structure of surface layer protein sbsc, domains 6-7
4UJ8: “Structure of surface layer protein sbsc, domains 6-7”. X-ray diffraction, 1 ligand (CA), 6 pockets (best druggability 0.76). MolNFT v1 #107744 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UJ8
- Type
- protein
- Length
- 956 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Surface layer protein
- UniProt
- O68840
- Ligands
- CA
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 9% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Surface layer protein | protein | 239 | 9% helix, 43% strand | O68840 |
| C | Surface layer protein | protein | 238 | 9% helix, 45% strand | O68840 |
| D | Surface layer protein | protein | 240 | 9% helix, 44% strand | O68840 |
Ligands and binding sites
- CA · Calcium ion · metal · 16 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1083 | 0.76 | 0.79 | 93 | empty |
| 2 | 695 | 0.68 | 0.76 | 56 | empty |
| 3 | 272 | 0.59 | 0.79 | 37 | empty |
| 4 | 200 | 0.45 | 0.74 | 36 | empty |
| 5 | 158 | 0.42 | 0.74 | 31 | empty |
Interfaces
5 interfaces between chains.
- B–D · 884 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 815 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 787 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 253 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 123 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4UJ8 · Structure of surface layer protein SbsC, domains 6-7 · the same entry in another collection · chain C against C, 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 O68840
- Elsewhere: RCSB PDB 4UJ8 · PDBe 4UJ8 · UniProt O68840
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.