Download MendeleyOptical 2-benzyl-5-hydroxy4oxopentanoic acids against carboxypeptidase A: Synthesis, kinetic evaluation and X-ray crystallographic study
Wang, S.F., Jin, J.-Y., Zeng, Z.H., Tian, G.R.(2010) Chin Chem Lett 21: 159-162
3FVL
Crystallogic studies on the Complex of Carboxypeptidase A with inhibitors using alpha-hydroxy ketone as zinc-binding group
- PDB DOI: https://doi.org/10.2210/pdb3FVL/pdb
- Classification: HYDROLASE
- Organism(s): Bos taurus
- Mutation(s): No
- Deposited: 2009-01-16 Released: 2010-01-12
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.85 Å
- R-Value Free: 0.238
- R-Value Work: 0.209
- R-Value Observed: 0.209
This is version 1.3 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Carboxypeptidase A1 | A, B [auth C], C [auth E] | 307 | Bos taurus | Mutation(s): 0 EC: 3.4.17.1 |  |
UniProt | |||||
Find proteins for P00730 (Bos taurus) Explore P00730 Go to UniProtKB: P00730 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P00730 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| BHK Query on BHK | E [auth A], G [auth C], I [auth E] | (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid C12 H14 O4 HHXVRTWUQBYAFG-SNVBAGLBSA-N |  | ||
| ZN Query on ZN | D [auth A], F [auth C], H [auth E] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.85 Å
- R-Value Free: 0.238
- R-Value Work: 0.209
- R-Value Observed: 0.209
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 73.347 | α = 90 |
| b = 59.786 | β = 103.94 |
| c = 99.36 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CrystalClear | data collection |
| CNS | refinement |
| HKL-2000 | data reduction |
| SCALA | data scaling |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2010-01-12 Deposition Author(s): Wang, S.F., Jin, J.-Y., Tian, G.R.
Revision History (Full details and data files)
- Version 1.0: 2010-01-12
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2017-11-01
Changes: Refinement description - Version 1.3: 2023-11-01
Changes: Data collection, Database references, Derived calculations, Refinement description
