MolNFT v1 · #95768 · protein
Tannin acyl hydrolase from lactobacillus plantarum (cadmium)
4J0D · Tannase: “Tannin acyl hydrolase from lactobacillus plantarum (cadmium)”. X-ray diffraction, 1 ligand (CD), 10 pockets (best druggability 0.64). MolNFT v1 #95768 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4J0D
- Type
- protein
- Length
- 940 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tannase
- UniProt
- B3Y018
- Ligands
- CD
- Pockets
- 10 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tannase | protein | 470 | 34% helix, 19% strand | B3Y018 |
Ligands and binding sites
- CD · Cadmium ion · metal · 4 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 11 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · 2 copies · chains B
- PGE · Triethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 459 | 0.64 | 0.77 | 71 | PGE |
| 2 | 296 | 0.61 | 0.79 | 43 | PG4 |
| 3 | 416 | 0.59 | 0.75 | 43 | empty |
| 4 | 396 | 0.57 | 0.75 | 49 | empty |
| 5 | 141 | 0.39 | 0.73 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 794 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4J0D · tannin acyl hydrolase from Lactobacillus plantarum (Cadmium) · 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 B3Y018
- Elsewhere: RCSB PDB 4J0D · PDBe 4J0D · UniProt B3Y018
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