Download MendeleyCrystal Structure of beta-Trypsin Complex with Amylamine in Cyclohexane
Wu, G., Zhu, G., Huang, Q., Qian, M., Tang, Y.To be published.
1JIR
Crystal Structure of Trypsin Complex with Amylamine in Cyclohexane
- PDB DOI: https://doi.org/10.2210/pdb1JIR/pdb
- Classification: HYDROLASE
- Organism(s): Bos taurus
- Mutation(s): No
- Deposited: 2001-07-02 Released: 2001-07-18
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.210
- R-Value Work: 0.169
- R-Value Observed: 0.182
wwPDB Validation 3D Report Full Report
This is version 1.4 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| beta-Trypsin | 223 | Bos taurus | Mutation(s): 0 EC: 3.4.21.4 |  | |
UniProt | |||||
Find proteins for P00760 (Bos taurus) Explore P00760 Go to UniProtKB: P00760 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P00760 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SO4 Query on SO4 | C [auth A], D [auth A], E [auth A], F [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| AML Query on AML | G [auth A], H [auth A] | AMYLAMINE C5 H13 N DPBLXKKOBLCELK-UHFFFAOYSA-N |  | ||
| CA Query on CA | B [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.210
- R-Value Work: 0.169
- R-Value Observed: 0.182
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 62.7 | α = 90 |
| b = 63.5 | β = 90 |
| c = 69.07 | γ = 90 |
| Software Name | Purpose |
|---|---|
| X-PLOR | model building |
| X-PLOR | refinement |
| X-PLOR | phasing |
Entry History
Deposition Data
Revision History (Full details and data files)
- Version 1.0: 2001-07-18
Type: Initial release - Version 1.1: 2008-04-27
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2017-10-04
Changes: Refinement description - Version 1.4: 2024-11-13
Changes: Data collection, Database references, Derived calculations, Structure summary
