1KCK
Bacillus circulans strain 251 Cyclodextrin glycosyl transferase mutant N193G
- PDB DOI: https://doi.org/10.2210/pdb1KCK/pdb
- Classification: TRANSFERASE
- Organism(s): Niallia circulans
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2001-11-09 Released: 2002-01-16
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.43 Å
- R-Value Free: 0.205
- R-Value Work: 0.159
This is version 3.2 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 |
| CYCLODEXTRIN GLYCOSYLTRANSFERASE | 686 | Niallia circulans | Mutation(s): 1 EC: 2.4.1.19 |  | |
UniProt | |||||
Find proteins for P43379 (Niallia circulans) Explore P43379 Go to UniProtKB: P43379 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P43379 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Oligosaccharides
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
| alpha-D-quinovopyranose-(1-4)-alpha-D-glucopyranose | B | 2 |  | N/A | |
Glycosylation Resources | |||||
GlyTouCan: G96906VH GlyCosmos: G96906VH | |||||
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
| alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | C | 2 |  | N/A | |
Glycosylation Resources | |||||
GlyTouCan: G07411ON GlyCosmos: G07411ON | |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| GLC Query on GLC | G [auth A] | alpha-D-glucopyranose C6 H12 O6 WQZGKKKJIJFFOK-DVKNGEFBSA-N |  | ||
| ADH Query on ADH | F [auth A] | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE C7 H13 N O3 BMZJPVSGERKRHP-ACZMJKKPSA-N |  | ||
| CA Query on CA | H [auth A], I [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Biologically Interesting Molecules (External Reference) 3 Unique
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_900001 Query on PRD_900001 | C | alpha-maltose | Oligosaccharide / Nutrient |  | |
Entity ID: 4 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_900009 Query on PRD_900009 | D | alpha-maltotriose | Oligosaccharide / Nutrient |  | |
Entity ID: 5 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_900065 Query on PRD_900065 | E | beta-maltotriose | Oligosaccharide / Nutrient |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.43 Å
- R-Value Free: 0.205
- R-Value Work: 0.159
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 120.686 | α = 90 |
| b = 111.162 | β = 90 |
| c = 65.944 | γ = 90 |
| Software Name | Purpose |
|---|---|
| XDS | data scaling |
| XDS | data reduction |
| CNS | refinement |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2002-01-16 Deposition Author(s): Rozeboom, H.J., Uitdehaag, J.C.M., Dijkstra, B.W.
Revision History (Full details and data files)
- Version 1.0: 2002-01-16
Type: Initial release - Version 1.1: 2008-04-27
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 2.0: 2017-10-25
Changes: Atomic model, Derived calculations, Structure summary - Version 3.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Structure summary - Version 3.1: 2021-10-27
Changes: Database references, Structure summary - Version 3.2: 2023-08-16
Changes: Data collection, Refinement description
