Download MendeleyStructure of Human Calpain 8
Davis, T.L., Paramanathan, R., Butler-Cole, C., Finerty Jr., P.J., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Dhe-Paganon, S.To be published.
2NQA
Catalytic Domain of Human Calpain 8
- PDB DOI: https://doi.org/10.2210/pdb2NQA/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Homo sapiens, Streptomyces roseus
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2006-10-30 Released: 2006-11-14
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.268
- R-Value Work: 0.205
- R-Value Observed: 0.205
wwPDB Validation 3D Report Full Report
This is version 1.7 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 |
| Calpain-8 | 326 | Homo sapiens | Mutation(s): 0 Gene Names: CAPN8, NCL2 EC: 3.4.22.53 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P17655 (Homo sapiens) Go to UniProtKB: P17655 | |||||
PHAROS: P17655 GTEx: ENSG00000162909 | |||||
Find proteins for A6NHC0 (Homo sapiens) Explore A6NHC0 Go to UniProtKB: A6NHC0 | |||||
PHAROS: A6NHC0 GTEx: ENSG00000203697 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A6NHC0 | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Leupeptin Inhibitor | C [auth D], D [auth E] | 4 | Streptomyces roseus | Mutation(s): 0 |  |
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CA Query on CA | E [auth A], F [auth A], G [auth A], H [auth B], I [auth B] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
| Modified Residues 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| CSO Query on CSO | A, B | L-PEPTIDE LINKING | C3 H7 N O3 S |  | CYS |
| AR7 Query on AR7 | C [auth D], D [auth E] | PEPTIDE-LIKE | C6 H17 N4 O2 |  | ARG |
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_000216 Query on PRD_000216 | C [auth D], D [auth E] | LEUPEPTIN | Oligopeptide / Enzyme inhibitor |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.268
- R-Value Work: 0.205
- R-Value Observed: 0.205
- Space Group: P 61
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 91.794 | α = 90 |
| b = 91.794 | β = 90 |
| c = 194.592 | γ = 120 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| PHASER | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data collection |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2006-11-14 Deposition Author(s): Davis, T.L., Paramanathan, R., Butler-Cole, C., Finerty Jr., P.J., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Dhe-Paganon, S., Structural Genomics Consortium (SGC)
Revision History (Full details and data files)
- Version 1.0: 2006-11-14
Type: Initial release - Version 1.1: 2008-05-01
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Advisory, Atomic model, Database references, Derived calculations, Non-polymer description, Structure summary, Version format compliance - Version 1.3: 2013-02-27
Changes: Other - Version 1.4: 2017-10-18
Changes: Advisory, Refinement description - Version 1.5: 2019-10-23
Changes: Data collection, Database references, Derived calculations, Source and taxonomy, Structure summary - Version 1.6: 2023-08-30
Changes: Advisory, Data collection, Database references, Derived calculations, Refinement description - Version 1.7: 2023-11-15
Changes: Data collection
