Download MendeleyCrystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors
Gallego, P., Covaleda, G., Devel, L., Dive, V., Aviles, F.X., Reverter, D.To be published.
4UEZ
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Phe-Y(PO2CH2)-Phe-OH
- PDB DOI: https://doi.org/10.2210/pdb4UEZ/pdb
- Classification: HYDROLASE
- Organism(s): Homo sapiens
- Expression System: Komagataella pastoris
- Mutation(s): No
- Deposited: 2014-12-22 Released: 2016-01-20
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.29 Å
- R-Value Free: 0.205
- R-Value Work: 0.150
- R-Value Observed: 0.153
This is version 1.1 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 |
| HUMAN CARBOXYPEPTIDASE A1 | 309 | Homo sapiens | Mutation(s): 0 EC: 3.4.17.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P15085 (Homo sapiens) Explore P15085 Go to UniProtKB: P15085 | |||||
PHAROS: P15085 GTEx: ENSG00000091704 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P15085 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| LFF Query on LFF | D [auth A], F [auth B] | (2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid C26 H35 N2 O6 P GRMCSCYPDCPNRA-TZRRMPRUSA-N |  | ||
| ZN Query on ZN | C [auth A], E [auth B] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.29 Å
- R-Value Free: 0.205
- R-Value Work: 0.150
- R-Value Observed: 0.153
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 45.989 | α = 90 |
| b = 84.143 | β = 90 |
| c = 158.005 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XPS | data reduction |
| CCP4I | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2016-01-20 Deposition Author(s): Gallego, P., Covaleda, G., Costenaro, L., Devel, L., Dive, V., Aviles, F.X., Reverter, D.
Revision History (Full details and data files)
- Version 1.0: 2016-01-20
Type: Initial release - Version 1.1: 2023-12-20
Changes: Data collection, Database references, Derived calculations, Other, Refinement description
