Download MendeleyCrystal Structure of a Clostripain (BT_0727) from Bacteroides thetaiotaomicron ATCC 29148 in Complex with Peptide Inhibitor BTN-VLTK-AOMK
Wolan, D.W., Roncase, E.J.To be published.
5L20
Crystal Structure of a Clostripain (BT_0727) from Bacteroides thetaiotaomicron ATCC 29148 in Complex with Peptide Inhibitor BTN-VLTK-AOMK
- PDB DOI: https://doi.org/10.2210/pdb5L20/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Bacteroides thetaiotaomicron VPI-5482, synthetic construct
- Expression System: Escherichia coli 'BL21-Gold(DE3)pLysS AG
- Mutation(s): No
- Deposited: 2016-07-29 Released: 2017-08-02
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.45 Å
- R-Value Free: 0.179
- R-Value Work: 0.150
- R-Value Observed: 0.151
wwPDB Validation 3D Report Full Report
This is version 2.0 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 |
| Clostripain-related protein | 143 | Bacteroides thetaiotaomicron VPI-5482 | Mutation(s): 0 Gene Names: BT_0727 |  | |
UniProt | |||||
Find proteins for Q8A9T8 (Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / JCM 5827 / CCUG 10774 / NCTC 10582 / VPI-5482 / E50)) Explore Q8A9T8 Go to UniProtKB: Q8A9T8 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8A9T8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Clostripain-related protein | 229 | Bacteroides thetaiotaomicron VPI-5482 | Mutation(s): 0 Gene Names: BT_0727 |  | |
UniProt | |||||
Find proteins for Q8A9T8 (Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / JCM 5827 / CCUG 10774 / NCTC 10582 / VPI-5482 / E50)) Explore Q8A9T8 Go to UniProtKB: Q8A9T8 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8A9T8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by: Sequence | 3D Structure
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Peptide Inhibitor BTN-VLTK-AOMK | 5 | synthetic construct | Mutation(s): 0 |  | |
Sequence AnnotationsExpand | |||||
| |||||
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_002239 Query on PRD_002239 | C | Peptide Inhibitor BTN-VLTK-AOMK | Peptide-like / Inhibitor |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.45 Å
- R-Value Free: 0.179
- R-Value Work: 0.150
- R-Value Observed: 0.151
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 79.207 | α = 90 |
| b = 102.885 | β = 90 |
| c = 84.186 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2017-08-02 Deposition Author(s): Wolan, D.W., Roncase, E.J.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | 3U54GM094586-03S1 |
Revision History (Full details and data files)
- Version 1.0: 2017-08-02
Type: Initial release - Version 1.1: 2019-12-25
Changes: Author supporting evidence - Version 2.0: 2023-11-15
Changes: Atomic model, Data collection, Database references, Derived calculations
