1JLY

CRYSTAL STRUCTURE OF AMARANTHUS CAUDATUS AGGLUTININ

PDB DOI: https://doi.org/10.2210/pdb1JLY/pdb

Classification: LECTIN
Organism(s): Amaranthus caudatus
Mutation(s): No

Deposited: 1997-07-23 Released: 1997-12-03
Deposition Author(s): Transue, T.R., Smith, A.K., Mo, H., Goldstein, I.J., Saper, M.A.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.20 Å
R-Value Free: 0.246
R-Value Work: 0.174
R-Value Observed: 0.174

wwPDB Validation 3D Report Full Report

This is version 1.3 of the entry. See complete history.

Literature

Structure of benzyl T-antigen disaccharide bound to Amaranthus caudatus agglutinin.

Transue, T.R., Smith, A.K., Mo, H., Goldstein, I.J., Saper, M.A.

(1997) Nat Struct Biol 4: 779-783

PubMed: 9334739 Search on PubMed
DOI: https://doi.org/10.1038/nsb1097-779
Primary Citation of Related Structures:
1JLX, 1JLY

PubMed Abstract:
Amaranthus caudatus agglutinin contains a novel arrangement of four beta-trefoil domains. The sugar-binding site provides specificity for the carcinoma-associated T-antigen disaccharide even when 'masked' by other sugars.

Macromolecule Content

Total Structure Weight: 69.65 kDa
Atom Count: 5,188
Modelled Residue Count: 600
Deposited Residue Count: 608
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
AGGLUTININ	A, B	304	Amaranthus caudatus	Mutation(s): 0
UniProt
Find proteins for Q71QF2 (Amaranthus caudatus) Explore Q71QF2 Go to UniProtKB: Q71QF2
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q71QF2
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.20 Å
R-Value Free: 0.246
R-Value Work: 0.174
R-Value Observed: 0.174
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 111.3	α = 90
b = 99.1	β = 90
c = 66.4	γ = 90

Software Package:

Software Name	Purpose
PHASES	phasing
X-PLOR	model building
X-PLOR	refinement
SDMS	data reduction
SDMS	data scaling
X-PLOR	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 1997-12-03

Deposition Author(s):

Goldstein, I.J.

Revision History (Full details and data files)

Version 1.0: 1997-12-03
Type: Initial release
Version 1.1: 2008-03-24
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance
Version 1.3: 2013-02-20
Changes: Derived calculations

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.