2YDM
Structural characterization of angiotensin-I converting enzyme in complex with a selenium analogue of captopril
- PDB DOI: https://doi.org/10.2210/pdb2YDM/pdb
- Classification: HYDROLASE
- Organism(s): Homo sapiens
- Expression System: Cricetulus griseus
- Mutation(s): No 
- Deposited: 2011-03-22 Released: 2011-09-14 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.44 Å
- R-Value Free: 0.263 
- R-Value Work: 0.214 
- R-Value Observed: 0.217 
This is version 2.1 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 | 589 | Homo sapiens | Mutation(s): 0  EC: 3.4.15.1 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P12821 (Homo sapiens) Explore P12821  Go to UniProtKB:  P12821 | |||||
PHAROS:  P12821 GTEx:  ENSG00000159640  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P12821 | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
Ligands 4 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
SLC Query on SLC | G [auth A] | SELENO-CAPTOPRIL C9 H13 N O3 Se YLSOIJMYGUURIT-ZETCQYMHSA-N | |||
NAG Query on NAG | F [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
ZN Query on ZN | C [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N | |||
CL Query on CL | D [auth A], E [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.44 Å
- R-Value Free: 0.263 
- R-Value Work: 0.214 
- R-Value Observed: 0.217 
- Space Group: P 21 21 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 56.143 | α = 90 |
b = 84.533 | β = 90 |
c = 132.27 | γ = 90 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
XDS | data reduction |
SCALA | data scaling |
PHASER | phasing |
Entry History 
Deposition Data
- Released Date: 2011-09-14  Deposition Author(s): Akif, M., Masuyer, G., Schwager, S.L.U., Bhuyan, B.J., Mugesh, G., Sturrock, E.D., Acharya, K.R.
Revision History (Full details and data files)
- Version 1.0: 2011-09-14
Type: Initial release - Version 1.1: 2011-10-19
Changes: Database references - Version 1.2: 2012-11-21
Changes: Database references - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Other, Structure summary - Version 2.1: 2023-12-20
Changes: Data collection, Database references, Refinement description, Structure summary