Download MendeleyPancreatic Bovine Trypsin with a boronic acid inhibitor
Santos-Silva, T., Correia, H.D.To be published.
6QIH
Pancreatic Bovine Trypsin with a boronic acid inhibitor
- PDB DOI: https://doi.org/10.2210/pdb6QIH/pdb
- Classification: BLOOD CLOTTING
- Organism(s): Bos taurus
- Mutation(s): No
- Deposited: 2019-01-18 Released: 2020-02-05
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.42 ?
- R-Value Free: 0.133
- R-Value Work: 0.095
- R-Value Observed: 0.097
Starting Model: experimental
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This is version 1.2 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): 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 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| J3T (Subject of Investigation/LOI) Query on J3T | B [auth A] | [4-[(4~{S})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate C10 H11 B N2 O4 S OMOMPYVBIXPZLY-QMMMGPOBSA-N |  | ||
| PEG Query on PEG | H [auth A] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | G [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| GOL Query on GOL | D [auth A], E [auth A], F [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| CA Query on CA | C [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.42 ?
- R-Value Free: 0.133
- R-Value Work: 0.095
- R-Value Observed: 0.097
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 54.49 | ¦Á = 90 |
| b = 56.71 | ¦Â = 90 |
| c = 66.5 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2020-02-05 Deposition Author(s): Santos-Silva, T., Correia, H.D.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Portugal | UID/Multi/04378/2013 | |
| Portugal | POCI-01-0145-FEDER-007728 |
Revision History (Full details and data files)
- Version 1.0: 2020-02-05
Type: Initial release - Version 1.1: 2024-01-24
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.2: 2024-11-20
Changes: Structure summary
