Research workbench
Family 4 carbohydrate esterase from streptomyces lividans in complex with acetate
Analyse Family 4 carbohydrate esterase from streptomyces lividans in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CC0
- Type
- protein
- Length
- 384 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyl-xylan esterase
- EC
- 3.1.1.72
- UniProt
- Q54413
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyl-xylan esterase (EC 3.1.1.72) | protein | 192 | 44% helix, 18% strand | Q54413 |
| B | Acetyl-xylan esterase (EC 3.1.1.72) | protein | 192 | 44% helix, 18% strand | Q54413 |
Ligands and binding sites
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 | 185 | 0.81 | 0.96 | 30 | empty |
| 2 | 54 | 0.32 | 0.77 | 15 | empty |
| 3 | 54 | 0.30 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 682 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2CC0 · Family 4 carbohydrate esterase from Streptomyces lividans in complex with acetate · 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 Q54413
- Elsewhere: RCSB PDB 2CC0 · PDBe 2CC0 · UniProt Q54413
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