3CK7
B. thetaiotaomicron SusD with alpha-cyclodextrin
- PDB DOI: https://doi.org/10.2210/pdb3CK7/pdb
- Classification: SUGAR BINDING PROTEIN
- Organism(s): Bacteroides thetaiotaomicron VPI-5482
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2008-03-14 Released: 2008-04-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.237
- R-Value Work: 0.194
- R-Value Observed: 0.194
wwPDB Validation 3D Report Full Report
This is version 2.1 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 |
| SusD | 527 | Bacteroides thetaiotaomicron VPI-5482 | Mutation(s): 0 Gene Names: SusD |  | |
UniProt | |||||
Find proteins for Q8A1G2 (Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / JCM 5827 / CCUG 10774 / NCTC 10582 / VPI-5482 / E50)) Explore Q8A1G2 Go to UniProtKB: Q8A1G2 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8A1G2 | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CA Query on CA | G [auth A], H [auth B], I [auth C], J [auth D] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_900015 Query on PRD_900015 | E, F | alpha-cyclodextrin | Oligosaccharide / Drug delivery |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.237
- R-Value Work: 0.194
- R-Value Observed: 0.194
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 60.1 | α = 90 |
| b = 163.3 | β = 97.2 |
| c = 123.12 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SAINT | data scaling |
| AMoRE | phasing |
| CNS | refinement |
| PDB_EXTRACT | data extraction |
| PROTEUM PLUS | data collection |
| PROTEUM PLUS | data reduction |
Entry History
Deposition Data
- Released Date: 2008-04-01 Deposition Author(s): Koropatkin, N.M., Martens, E.C., Gordon, J.I., Smith, T.J.
Revision History (Full details and data files)
- Version 1.0: 2008-04-01
Type: Initial release - Version 1.1: 2011-07-13
Changes: Source and taxonomy, Version format compliance - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Database references, Derived calculations, Non-polymer description, Structure summary - Version 2.1: 2023-08-30
Changes: Data collection, Database references, Refinement description, Structure summary
