Download MendeleyCrystal structure of a binary complex between an engineered trypsin inhibitor and Bovine trypsin
Sen, U.To be published.
2QYI
Crystal structure of a binary complex between an engineered trypsin inhibitor and Bovine trypsin
- PDB DOI: https://doi.org/10.2210/pdb2QYI/pdb
- Classification: Hydrolase/Hydrolase inhibitor
- Organism(s): Bos taurus, Psophocarpus tetragonolobus
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2007-08-15 Released: 2008-08-19
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.268
- R-Value Work: 0.208
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 |  | |
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 | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Chymotrypsin inhibitor 3 | 183 | Psophocarpus tetragonolobus | Mutation(s): 1 |  | |
UniProt | |||||
Find proteins for P10822 (Psophocarpus tetragonolobus) Explore P10822 Go to UniProtKB: P10822 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P10822 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NI Query on NI | F [auth B] | NICKEL (II) ION Ni VEQPNABPJHWNSG-UHFFFAOYSA-N |  | ||
| CA Query on CA | E [auth A], G [auth C] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.268
- R-Value Work: 0.208
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 143.694 | α = 90 |
| b = 77.437 | β = 103 |
| c = 72.907 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CNS | refinement |
| PDB_EXTRACT | data extraction |
Entry History
Deposition Data
- Released Date: 2008-08-19 Deposition Author(s): Khamrui, S., Dasgupta, J., Dattagupta, J.K., Sen, U.
Revision History (Full details and data files)
- Version 1.0: 2008-08-19
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2021-11-10
Changes: Database references, Derived calculations
