Download MendeleyCarboxypeptidase A liganded to an organic small-molecule: conformational changes
Fernandez, D.To be published.
3HUV
Carboxypeptidase A liganded to an organic small-molecule: conformational changes
- PDB DOI: https://doi.org/10.2210/pdb3HUV/pdb
- Classification: HYDROLASE
- Organism(s): Bos taurus
- Expression System: Komagataella pastoris
- Mutation(s): No
- Deposited: 2009-06-15 Released: 2010-06-02
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.227
- R-Value Work: 0.182
- R-Value Observed: 0.183
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 |
| Carboxypeptidase A1 (Pancreatic) | 309 | Bos taurus | Mutation(s): 0 Gene Names: CPA1 |  | |
UniProt | |||||
Find proteins for A6H6Y4 (Bos taurus) Explore A6H6Y4 Go to UniProtKB: A6H6Y4 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A6H6Y4 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ZN Query on ZN | B [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.227
- R-Value Work: 0.182
- R-Value Observed: 0.183
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 42.83 | α = 90 |
| b = 56.98 | β = 100.25 |
| c = 56.69 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MAR345dtb | data collection |
| PHASER | phasing |
| REFMAC | refinement |
| MOSFLM | data reduction |
| SCALA | data scaling |
Entry History
Deposition Data
- Released Date: 2010-06-02 Deposition Author(s): Fernandez, D., Boix, E., Aviles, F.X., Vendrell, J.
Revision History (Full details and data files)
- Version 1.0: 2010-06-02
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2023-11-01
Changes: Data collection, Database references, Derived calculations, Refinement description
