4C2Q
Crystal structure of human testis angiotensin-I converting enzyme mutant R522K
- PDB DOI: https://doi.org/10.2210/pdb4C2Q/pdb
- Classification: HYDROLASE
- Organism(s): Homo sapiens
- Expression System: Cricetulus griseus
- Mutation(s): Yes 
- Deposited: 2013-08-19 Released: 2013-12-11 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.245 
- R-Value Work: 0.188 
- R-Value Observed: 0.191 
wwPDB Validation   3D Report Full Report
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): 1  EC: 3.2.1 (PDB Primary Data), 3.4.15.1 (PDB Primary Data) | ||
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
Entity ID: 2 | |||||
---|---|---|---|---|---|
Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | B | 4 | N-Glycosylation | ||
Glycosylation Resources | |||||
GlyTouCan:  G32152BH GlyCosmos:  G32152BH GlyGen:  G32152BH |
Small Molecules
Ligands 5 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
PE4 Query on PE4 | G [auth A] | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL C16 H34 O8 PJWQOENWHPEPKI-UHFFFAOYSA-N | |||
SO4 Query on SO4 | E [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L | |||
ZN Query on ZN | C [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N | |||
ACT Query on ACT | F [auth A] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M | |||
CL Query on CL | D [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.245 
- R-Value Work: 0.188 
- R-Value Observed: 0.191 
- Space Group: P 21 21 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 56.64 | α = 90 |
b = 85.04 | β = 90 |
c = 133.66 | γ = 90 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
xia2 | data reduction |
Aimless | data scaling |
PHASER | phasing |
Entry History 
Deposition Data
- Released Date: 2013-12-11  Deposition Author(s): Masuyer, G., Yates, C.J., Schwager, S.L.U., Mohd, A., Sturrock, E.D., Acharya, K.R.
Revision History (Full details and data files)
- Version 1.0: 2013-12-11
Type: Initial release - Version 1.1: 2014-02-05
Changes: Atomic model, Database references, Derived calculations, Other - Version 1.2: 2019-04-03
Changes: Data collection, Derived calculations, Other, Source and taxonomy - 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, Derived calculations, Refinement description, Structure summary