1S46
Covalent intermediate of the E328Q amylosucrase mutant
- PDB DOI: https://doi.org/10.2210/pdb1S46/pdb
- Classification: TRANSFERASE
- Organism(s): Neisseria polysaccharea
- Expression System: Escherichia coli
- Mutation(s): Yes 
- Deposited: 2004-01-15 Released: 2004-03-23 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.221 
- R-Value Work: 0.184 
- R-Value Observed: 0.184 
This is version 1.6 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 |
amylosucrase | 628 | Neisseria polysaccharea | Mutation(s): 1  EC: 2.4.1.4 | ||
UniProt | |||||
Find proteins for Q9ZEU2 (Neisseria polysaccharea) Explore Q9ZEU2  Go to UniProtKB:  Q9ZEU2 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q9ZEU2 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
Ligands 1 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
BGC Query on BGC | B [auth A] | beta-D-glucopyranose C6 H12 O6 WQZGKKKJIJFFOK-VFUOTHLCSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.221 
- R-Value Work: 0.184 
- R-Value Observed: 0.184 
- Space Group: P 21 21 2
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 96.253 | α = 90 |
b = 116.63 | β = 90 |
c = 60.539 | γ = 90 |
Software Name | Purpose |
---|---|
CNS | refinement |
MAR345 | data collection |
SCALEPACK | data scaling |
CNS | phasing |
Entry History 
Deposition Data
- Released Date: 2004-03-23  Deposition Author(s): Jensen, M.H., Mirza, O., Albenne, C., Remaud-Simeon, M., Monsan, P., Gajhede, M., Skov, L.K.
Revision History (Full details and data files)
- Version 1.0: 2004-03-23
Type: Initial release - Version 1.1: 2008-04-29
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2017-10-11
Changes: Data collection, Refinement description - Version 1.4: 2018-01-24
Changes: Database references - Version 1.5: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Database references, Derived calculations, Structure summary - Version 1.6: 2021-10-27
Changes: Database references, Structure summary