Download MendeleyCrystal structures of active and inhibitor-bound human Casp6
Mueller, I., Lamers, M.B.A.C., Ritchie, A.J., Dominguez, C., Munoz, I., Maillard, M., Kiselyov, A.To be published.
3P4U
Crystal structure of active caspase-6 in complex with Ac-VEID-CHO inhibitor
- PDB DOI: https://doi.org/10.2210/pdb3P4U/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2010-10-07 Released: 2011-09-28
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.185
- R-Value Work: 0.150
- R-Value Observed: 0.151
wwPDB Validation 3D Report Full Report
This is version 1.1 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 |
| Caspase-6 | 157 | Homo sapiens | Mutation(s): 0 Gene Names: CASP6, MCH2 EC: 3.4.22.59 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P55212 (Homo sapiens) Explore P55212 Go to UniProtKB: P55212 | |||||
PHAROS: P55212 GTEx: ENSG00000138794 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P55212 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Caspase-6 | 108 | Homo sapiens | Mutation(s): 0 Gene Names: CASP6, MCH2 EC: 3.4.22.59 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P55212 (Homo sapiens) Explore P55212 Go to UniProtKB: P55212 | |||||
PHAROS: P55212 GTEx: ENSG00000138794 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P55212 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by: Sequence | 3D Structure
Small Molecules
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| CAS Query on CAS | A, C | L-PEPTIDE LINKING | C5 H12 As N O2 S |  | CYS |
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_000929 Query on PRD_000929 | E, F | N-acetyl-L-valyl-L-alpha-glutamyl-N-[(2S)-1-carboxy-3-hydroxypropan-2-yl]-L-isoleucinamide | Peptide-like / Inhibitor |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.185
- R-Value Work: 0.150
- R-Value Observed: 0.151
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 55.455 | α = 90 |
| b = 89.5 | β = 111.73 |
| c = 61.245 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MOSFLM | data reduction |
| SCALA | data scaling |
| MOLREP | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| CrystalClear | data collection |
Entry History
Deposition Data
- Released Date: 2011-09-28 Deposition Author(s): Mueller, I., Lamers, M.B.A.C., Ritchie, A.J., Dominguez, C., Munoz, I., Maillard, M., Kiselyov, A.
Revision History (Full details and data files)
- Version 1.0: 2011-09-28
Type: Initial release - Version 1.1: 2015-12-02
Changes: Refinement description
