MolNFT v1 · #140702 · protein
The exoglucanase cels from clostridium thermocellum
5YJ6 · Dockerin type I repeat-containing protein: “The exoglucanase cels from clostridium thermocellum”. X-ray diffraction, 1 ligand (33O), 3 pockets (best druggability 0.86). MolNFT v1 #140702 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5YJ6
- Type
- protein
- Length
- 636 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dockerin type I repeat-containing protein
- UniProt
- A0A286AKY4
- Ligands
- 33O
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dockerin type I repeat-containing protein | protein | 636 | 42% helix, 16% strand | A0A286AKY4 |
Ligands and binding sites
- 33O · 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1141 | 0.86 | 0.87 | 109 | 33O |
| 2 | 88 | 0.40 | 0.77 | 18 | empty |
| 3 | 79 | 0.38 | 0.78 | 16 | empty |
Compared structures
- 5YJ6 · The exoglucanase CelS from Clostridium thermocellum · 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 A0A286AKY4
- Elsewhere: RCSB PDB 5YJ6 · PDBe 5YJ6 · UniProt A0A286AKY4
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