Research workbench
Active-site mutant D214N determined at pH 6.0 with no ligand bound in the active site
Analyse Active-site mutant D214N determined at pH 6.0 with no ligand bound in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CEL
- Type
- protein
- Length
- 868 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1,4-beta-D-glucan cellobiohydrolase I
- EC
- 3.2.1.91
- UniProt
- P62694
- Ligands
- NAG, CA
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 1,4-beta-D-glucan cellobiohydrolase I (EC 3.2.1.91) | protein | 434 | 13% helix, 36% strand | P62694 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 893 | 0.82 | 0.84 | 87 | CA |
| 2 | 900 | 0.82 | 0.84 | 90 | CA |
Modifications
Observed in the structure: 20 disulfide, 2 glycan, 2 modified (disulfide, N-glycosylation, cyclization).
Compared structures
- 4CEL · Active-site mutant D214N determined at pH 6.0 with no ligand bound in the active site · the same entry in another collection · chain A against A, TM-score 1.00
- P62694 · AlphaFold monomer V2.0 prediction for exoglucanase 1 (P62694) · 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 P62694
- Elsewhere: RCSB PDB 4CEL · PDBe 4CEL · UniProt P62694
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