Download MendeleyNeutron structure of cationic trypsin in complex with benzylamine
Schiebel, J., Heine, A., Klebe, G.To be published.
5MO1
Neutron structure of cationic trypsin in complex with benzylamine
- PDB DOI: https://doi.org/10.2210/pdb5MO1/pdb
- Classification: HYDROLASE
- Organism(s): Bos taurus
- Mutation(s): No
- Deposited: 2016-12-13 Released: 2018-02-28
- Funding Organization(s): European Research Council
Experimental Data Snapshot
- Method: NEUTRON DIFFRACTION
- Resolution: 1.49 Å
- R-Value Free: 0.216
- R-Value Work: 0.175
- R-Value Observed: 0.177
wwPDB Validation 3D Report Full Report
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 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| UFZ Query on UFZ | C [auth A] | (phenylmethyl)azanium C7 H10 N WGQKYBSKWIADBV-UHFFFAOYSA-O |  | ||
| CA Query on CA | B [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: NEUTRON DIFFRACTION
- Resolution: 1.49 Å
- R-Value Free: 0.216
- R-Value Work: 0.175
- R-Value Observed: 0.177
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 55.017 | α = 90 |
| b = 58.63 | β = 90 |
| c = 67.753 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
| Coot | model building |
Entry History & Funding Information
Deposition Data
- Released Date: 2018-02-28 Deposition Author(s): Schiebel, J., Schrader, T.E., Ostermann, A., Heine, A., Klebe, G.
| Funding Organization | Location | Grant Number |
|---|---|---|
| European Research Council | 268145-DrugProfilBind |
Revision History (Full details and data files)
- Version 1.0: 2018-02-28
Type: Initial release - Version 1.1: 2018-11-14
Changes: Data collection - Version 1.2: 2024-01-17
Changes: Data collection, Database references, Refinement description
