Download MendeleyStructure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution
Law, S., Aguda, A.H., Nguyen, N.T., Brayer, G.D., Bromme, D.To be published.
6PXF | pdb_00006pxf
Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution
- PDB DOI: https://doi.org/10.2210/pdb6PXF/pdb
- Classification: HYDROLASE/HYDROLASE Inhibitor
- Organism(s): Homo sapiens
- Expression System: Komagataella phaffii GS115
- Mutation(s): Yes
- Deposited: 2019-07-25 Released: 2020-07-29
- Funding Organization(s): Canadian Institutes of Health Research (CIHR), Natural Sciences and Engineering Research Council (NSERC, Canada)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.85 Å
- R-Value Free: 0.188 (Depositor), 0.191 (DCC)
- R-Value Work: 0.170 (Depositor), 0.172 (DCC)
- R-Value Observed: 0.171 (Depositor)
Starting Model: experimental
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This is version 1.2 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 |
| Cathepsin K | 215 | Homo sapiens | Mutation(s): 1 Gene Names: CTSK, CTSO, CTSO2 EC: 3.4.22.38 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P43235 (Homo sapiens) Explore P43235 Go to UniProtKB: P43235 | |||||
PHAROS: P43235 GTEx: ENSG00000143387 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P43235 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| J0V (Subject of Investigation/LOI) Query on J0V | B [auth A], C [auth A], D [auth A], E [auth A] | 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid C19 H18 O6 S UJCACMLMPLLRGW-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.85 Å
- R-Value Free: 0.188 (Depositor), 0.191 (DCC)
- R-Value Work: 0.170 (Depositor), 0.172 (DCC)
- R-Value Observed: 0.171 (Depositor)
Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 31.669 | α = 90 |
| b = 67.68 | β = 90 |
| c = 92.249 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| MOSFLM | data reduction |
| SCALA | data scaling |
| PHENIX | phasing |
| PDB_EXTRACT | data extraction |
Entry History & Funding Information
Deposition Data
- Released Date: 2020-07-29 Deposition Author(s): Law, S., Aguda, A.H., Nguyen, N.T., Brayer, G.D., Bromme, D.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Canadian Institutes of Health Research (CIHR) | Canada | MOP-89974 |
| Canadian Institutes of Health Research (CIHR) | Canada | MOP-125866 |
| Canadian Institutes of Health Research (CIHR) | Canada | MOP-125866 |
| Natural Sciences and Engineering Research Council (NSERC, Canada) | Canada | RGPIN-326803-13 |
Revision History (Full details and data files)
- Version 1.0: 2020-07-29
Type: Initial release - Version 1.1: 2023-10-11
Changes: Data collection, Database references, Refinement description - Version 1.2: 2024-11-06
Changes: Structure summary
