2X94
Crystal structure of AnCE-perindoprilat complex
- PDB DOI: https://doi.org/10.2210/pdb2X94/pdb
- Classification: HYDROLASE
- Organism(s): Drosophila melanogaster
- Expression System: Komagataella phaffii GS115
- Mutation(s): No
- Deposited: 2010-03-14 Released: 2010-06-02
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.88 Å
- R-Value Free: 0.213
- R-Value Work: 0.194
- R-Value Observed: 0.195
This is version 2.0 of the entry. See complete history.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| ANGIOTENSIN CONVERTING ENZYME | 599 | Drosophila melanogaster | Mutation(s): 0 EC: 3.4.15.1 |  | |
UniProt | |||||
Find proteins for Q10714 (Drosophila melanogaster) Explore Q10714 Go to UniProtKB: Q10714 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q10714 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Oligosaccharides
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
| beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | B | 6 |  | N-Glycosylation | |
Glycosylation Resources | |||||
GlyTouCan: G64803HZ GlyCosmos: G64803HZ GlyGen: G64803HZ | |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| X94 Query on X94 | G [auth A] | PERINDOPRILAT C17 H28 N2 O5 ODAIHABQVKJNIY-PEDHHIEDSA-N |  | ||
| EPE Query on EPE | C [auth A] | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID C8 H18 N2 O4 S JKMHFZQWWAIEOD-UHFFFAOYSA-N |  | ||
| NAG Query on NAG | E [auth A], F [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| ZN Query on ZN | D [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 6 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_002048 (X94) Query on PRD_002048 | G [auth A] | PERINDOPRILAT | Peptide-like / Enzyme inhibitor | | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.88 Å
- R-Value Free: 0.213
- R-Value Work: 0.194
- R-Value Observed: 0.195
- Space Group: H 3
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 173.13 | α = 90 |
| b = 173.13 | β = 90 |
| c = 102.288 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2010-06-02 Deposition Author(s): Akif, M., Georgiadis, D., Mahajan, A., Dive, V., Sturrock, E.D., Isaac, R.E., Acharya, K.R.
Revision History (Full details and data files)
- Version 1.0: 2010-06-02
Type: Initial release - Version 1.1: 2013-05-29
Changes: Other - Version 1.2: 2017-07-12
Changes: Derived calculations - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Other, Structure summary
