Download MendeleyBovine trypsin variants X(tripleGlu217Phe227) in complexes with small molecule inhibitor
Tziridis, A., Neumann, P., Kolenko, P., Stubbs, M.T.To be published.
3V0X
Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor
- PDB DOI: https://doi.org/10.2210/pdb3V0X/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Bos taurus
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2011-12-09 Released: 2012-12-12
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.207
- R-Value Work: 0.159
- R-Value Observed: 0.165
Starting Model: experimental
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This is version 1.3 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Cationic trypsin | 223 | Bos taurus | Mutation(s): 11 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 | |
| ANH Query on ANH | C [auth A] | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE C20 H24 N4 O5 S YAEIKQDHLCFGAA-KRWDZBQOSA-N |  | ||
| GOL Query on GOL | D [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-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: 1.90 Å
- R-Value Free: 0.207
- R-Value Work: 0.159
- R-Value Observed: 0.165
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 54.494 | α = 90 |
| b = 57.478 | β = 90 |
| c = 67.003 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MxCuBE | data collection |
| PHASER | phasing |
| REFMAC | refinement |
| d*TREK | data reduction |
| d*TREK | data scaling |
Entry History
Deposition Data
- Released Date: 2012-12-12 Deposition Author(s): Tziridis, A., Neumann, P., Kolenko, P., Stubbs, M.T.
Revision History (Full details and data files)
- Version 1.0: 2012-12-12
Type: Initial release - Version 1.1: 2018-12-05
Changes: Data collection, Source and taxonomy - Version 1.2: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.3: 2024-11-27
Changes: Structure summary
