1ZS2

Amylosucrase Mutant E328Q in a ternary complex with sucrose and maltoheptaose

PDB DOI: https://doi.org/10.2210/pdb1ZS2/pdb

Classification: TRANSFERASE
Organism(s): Neisseria polysaccharea
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2005-05-23 Released: 2006-05-02
Deposition Author(s): Skov, L.K., Mirza, O., Sprogoe, D., van der Veen, B.A., Remaud-Simeon, M., Albenne, C., Monsan, P., Gajhede, M.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.16 Å
R-Value Free: 0.221
R-Value Work: 0.178
R-Value Observed: 0.178

wwPDB Validation 3D Report Full Report

This is version 2.2 of the entry. See complete history.

Literature

Crystal structure of the Glu328Gln mutant of Neisseria polysaccharea amylosucrase in complex with sucrose and maltoheptaose

Skov, L.K., Mirza, O., Sprogoe, D., van der Veen, B.A., Remaud-Simeon, M., Albenne, C., Monsan, P., Gajhede, M.

(2006) Biocatal Biotransformation 24: 99-105

Macromolecule Content

Total Structure Weight: 73.04 kDa
Atom Count: 5,848
Modelled Residue Count: 628
Deposited Residue Count: 628
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
amylosucrase	A	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 Annotations Expand
Reference Sequence

Oligosaccharides

Help

Entity ID: 2
Molecule	Chains	Length	2D Diagram	Glycosylation	3D Interactions
alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	B	4		N/A	Interactions Focus chain B Interactions & Density Focus chain B
Glycosylation Resources
GlyTouCan: G87171PZ GlyCosmos: G87171PZ GlyGen: G87171PZ

Entity ID: 3
Molecule	Chains	Length	2D Diagram	Glycosylation	3D Interactions
alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	C	3		N/A	Interactions Focus chain C Interactions & Density Focus chain C
Glycosylation Resources
GlyTouCan: G96370VA GlyCosmos: G96370VA GlyGen: G96370VA

Entity ID: 4
Molecule	Chains	Length	2D Diagram	Glycosylation	3D Interactions
beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose	D	2		N/A	Interactions Focus chain D Interactions & Density Focus chain D
Glycosylation Resources
GlyTouCan: G05551OP GlyCosmos: G05551OP

Biologically Interesting Molecules (External Reference) 3 Unique

Entity ID: 2
ID	Chains	Name	Type/Class	2D Diagram	3D Interactions
PRD_900010 Query on PRD_900010	B	alpha-maltotetraose	Oligosaccharide / Substrate analog		Interactions Focus chain B Interactions & Density Focus chain B

Entity ID: 3
ID	Chains	Name	Type/Class	2D Diagram	3D Interactions
PRD_900009 Query on PRD_900009	C	alpha-maltotriose	Oligosaccharide / Nutrient		Interactions Focus chain C Interactions & Density Focus chain C

Entity ID: 4
ID	Chains	Name	Type/Class	2D Diagram	3D Interactions
PRD_900003 Query on PRD_900003	D	sucrose	Oligosaccharide / Nutrient		Interactions Focus chain D Interactions & Density Focus chain D

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.16 Å
R-Value Free: 0.221
R-Value Work: 0.178
R-Value Observed: 0.178
Space Group: P 2₁ 2₁ 2

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 95.741	α = 90
b = 116.358	β = 90
c = 61.051	γ = 90

Software Package:

Software Name	Purpose
CNS	refinement
DENZO	data reduction
SCALEPACK	data scaling
CNS	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2006-05-02

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2006-05-02
Type: Initial release
Version 1.1: 2008-04-30
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance
Version 1.3: 2018-01-31
Changes: Data collection, Database references
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: 2021-10-20
Changes: Database references, Structure summary
Version 2.2: 2023-08-23
Changes: Data collection, Refinement description