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