1CEL
THE THREE-DIMENSIONAL CRYSTAL STRUCTURE OF THE CATALYTIC CORE OF CELLOBIOHYDROLASE I FROM TRICHODERMA REESEI
- PDB DOI: https://doi.org/10.2210/pdb1CEL/pdb
- Classification: HYDROLASE(O-GLYCOSYL)
- Organism(s): Trichoderma reesei
- Mutation(s): No
- Deposited: 1994-05-17 Released: 1994-11-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Work: 0.181
- R-Value Observed: 0.181
wwPDB Validation 3D Report Full Report
This is version 2.1 of the entry. See complete history.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I | 434 | Trichoderma reesei | Mutation(s): 0 EC: 3.2.1.91 |  | |
UniProt | |||||
Find proteins for P62694 (Hypocrea jecorina) Explore P62694 Go to UniProtKB: P62694 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P62694 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| IBZ Query on IBZ | F [auth A], I [auth B] | 2-IODOBENZYLTHIO GROUP C7 H7 I S KVYARXTXGITUCU-UHFFFAOYSA-N |  | ||
| NAG Query on NAG | C [auth A], G [auth B] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| GLC Query on GLC | H [auth B] | alpha-D-glucopyranose C6 H12 O6 WQZGKKKJIJFFOK-DVKNGEFBSA-N |  | ||
| BGC Query on BGC | D [auth A] | beta-D-glucopyranose C6 H12 O6 WQZGKKKJIJFFOK-VFUOTHLCSA-N |  | ||
| CA Query on CA | E [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| PCA Query on PCA | A, B | L-PEPTIDE LINKING | C5 H7 N O3 |  | GLN |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Work: 0.181
- R-Value Observed: 0.181
- Space Group: P 21 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 84 | α = 90 |
| b = 86.2 | β = 90 |
| c = 111.8 | γ = 90 |
| Software Name | Purpose |
|---|---|
| X-PLOR | model building |
| X-PLOR | refinement |
| X-PLOR | phasing |
Entry History
Deposition Data
- Released Date: 1994-11-01 Deposition Author(s): Divne, C., Jones, T.A.
Revision History (Full details and data files)
- Version 1.0: 1994-11-01
Type: Initial release - Version 1.1: 2008-03-10
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Non-polymer description, Version format compliance - Version 1.3: 2017-11-29
Changes: Derived calculations, Other - Version 2.0: 2019-12-25
Changes: Data collection, Derived calculations, Polymer sequence - Version 2.1: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Data collection, Derived calculations, Structure summary
