Download MendeleyCharacterisation of a methylesterases essential for pectin rhamnogalacturonan II metabolism from the gut bacterium Bacteroides thetaiotaomicron
Ndhe, D., Cheng-Jie, D., Basle, A., Gilbert, H.To be published.
6GOC
Methylesterase BT1017
- PDB DOI: https://doi.org/10.2210/pdb6GOC/pdb
- Classification: CARBOHYDRATE
- Organism(s): Bacteroides thetaiotaomicron
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2018-06-01 Released: 2019-06-19
- Funding Organization(s): European Research Council (ERC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.243
- R-Value Work: 0.201
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 |
| DUF3826 domain-containing protein | 658 | Bacteroides thetaiotaomicron | Mutation(s): 0 Gene Names: BJP75_005780, Btheta7330_02632 |  | |
UniProt | |||||
Find proteins for Q8A900 (Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / JCM 5827 / CCUG 10774 / NCTC 10582 / VPI-5482 / E50)) Explore Q8A900 Go to UniProtKB: Q8A900 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8A900 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ZN Query on ZN | B [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.243
- R-Value Work: 0.201
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 68.508 | α = 90 |
| b = 229.469 | β = 90 |
| c = 80.709 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| GDA | data collection |
| MOSFLM | data reduction |
| Aimless | data scaling |
| SHELXCD | phasing |
| SHELXE | model building |
| BUCCANEER | model building |
| Coot | model building |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-06-19 Deposition Author(s): Basle, A., Ndeh, D., Gilbert, H.
| Funding Organization | Location | Grant Number |
|---|---|---|
| European Research Council (ERC) | United Kingdom | 322820 |
Revision History (Full details and data files)
- Version 1.0: 2019-06-19
Type: Initial release - Version 2.0: 2020-04-22
Type: Coordinate replacement
Reason: Model completeness
Changes: Advisory, Atomic model, Author supporting evidence, Data collection, Derived calculations, Non-polymer description, Other, Refinement description, Structure summary
