MolNFT v1 · #52758 · protein
Structure of an active site mutant of a family two carbohydrate esterase from clostridium thermocellum in complex with celluohexase
2WAB · Endoglucanase E: “Structure of an active site mutant of a family two carbohydrate esterase from clostridium thermocellum in…”. X-ray diffraction, 2 ligands (BGC, IOD), 3 pockets (best druggability 0.55). MolNFT v1 #52758 on…
- PDB
- 2WAB
- Type
- protein
- Length
- 327 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase E
- EC
- 3.2.1.4
- UniProt
- P10477
- Ligands
- BGC, IOD
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase E (EC 3.2.1.4) | protein | 327 | 29% helix, 30% strand | P10477 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 5 copies · chains A
- IOD · Iodide ion · ion · 6 copies · chains A
- GOL · Glycerol · additive · 6 copies · 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 | 145 | 0.55 | 0.82 | 24 | empty |
| 2 | 114 | 0.43 | 0.77 | 22 | BGC, IOD |
| 3 | 56 | 0.32 | 0.77 | 17 | empty |
Compared structures
- 2WAB · Structure of an active site mutant of a family two carbohydrate esterase from Clostridium… · the same entry in another collection · chain A against A, TM-score 1.00
- P10477 · AlphaFold monomer V2.0 prediction for CELLULASE/ESTERASE cele (P10477) · a predicted model of the same protein · 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 P10477
- Elsewhere: RCSB PDB 2WAB · PDBe 2WAB · UniProt P10477
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