7R1L
Clostridium thermocellum CtCBM50 structure in complex with beta-1,4-GlcNAc trisaccharide
- PDB DOI: https://doi.org/10.2210/pdb7R1L/pdb
- Classification: SUGAR BINDING PROTEIN
- Organism(s): Acetivibrio thermocellus
- Expression System: Escherichia coli BL21
- Mutation(s): No
- Deposited: 2022-02-03 Released: 2023-02-15
- Funding Organization(s): Fundacao para a Ciencia e a Tecnologia
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.45 Å
- R-Value Free: 0.201
- R-Value Work: 0.176
- R-Value Observed: 0.177
wwPDB Validation 3D Report Full Report
This is version 1.1 of the entry. See complete history.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Spore coat assembly protein SafA | 56 | Acetivibrio thermocellus | Mutation(s): 0 Gene Names: Cthe_0300 |  | |
UniProt | |||||
Find proteins for A3DC59 (Acetivibrio thermocellus (strain ATCC 27405 / DSM 1237 / JCM 9322 / NBRC 103400 / NCIMB 10682 / NRRL B-4536 / VPI 7372)) Explore A3DC59 Go to UniProtKB: A3DC59 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A3DC59 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Oligosaccharides
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ACT Query on ACT | E [auth C] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_900017 Query on PRD_900017 | D | triacetyl-beta-chitotriose | Oligosaccharide / Inhibitor |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.45 Å
- R-Value Free: 0.201
- R-Value Work: 0.176
- R-Value Observed: 0.177
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 99.39 | α = 90 |
| b = 41.77 | β = 96.9 |
| c = 42.87 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| MOSFLM | data reduction |
| SCALA | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2023-02-15 Deposition Author(s): Ribeiro, D.O., Costa, R., Palma, A.S., Carvalho, A.L.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Fundacao para a Ciencia e a Tecnologia | Portugal | -- |
Revision History (Full details and data files)
- Version 1.0: 2023-02-15
Type: Initial release - Version 1.1: 2024-02-07
Changes: Data collection, Refinement description
