Research workbench
The X-ray crystal structure of CBTAN2, a tannase enzyme from clostridium butyricum
Analyse The X-ray crystal structure of CBTAN2, a tannase enzyme from clostridium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7Q6Y
- Type
- protein
- Length
- 929 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALPHA/BETA hydrolase
- UniProt
- A0A6M0U600
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALPHA/BETA hydrolase | protein | 470 | 35% helix, 21% strand | A0A6M0U600 |
| B | ALPHA/BETA hydrolase | protein | 459 | 34% helix, 20% strand | A0A6M0U600 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 11 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 840 | 0.72 | 0.77 | 70 | PEG, EDO |
| 2 | 933 | 0.69 | 0.75 | 74 | PEG, EDO |
| 3 | 673 | 0.68 | 0.76 | 70 | EDO, PEG |
| 4 | 131 | 0.49 | 0.79 | 22 | empty |
| 5 | 99 | 0.45 | 0.79 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 431 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7Q6Y · The X-ray crystal structure of CbTan2, a tannase enzyme from Clostridium butyricum · 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 A0A6M0U600
- Elsewhere: RCSB PDB 7Q6Y · PDBe 7Q6Y · UniProt A0A6M0U600
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