2AQ3

Crystal structure of T-cell receptor V beta domain variant complexed with superantigen SEC3

PDB DOI: https://doi.org/10.2210/pdb2AQ3/pdb

Classification: IMMUNE SYSTEM
Organism(s): Mus musculus, Staphylococcus aureus
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2005-08-17 Released: 2006-03-21
Deposition Author(s): Cho, S., Swaminathan, C.P., Yang, J., Kerzic, M.C., Guan, R., Kieke, M.C., Kranz, D.M., Mariuzza, R.A., Sundberg, E.J.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.30 Å
R-Value Free: 0.271
R-Value Work: 0.206
R-Value Observed: 0.209

wwPDB Validation 3D Report Full Report

This is version 1.2 of the entry. See complete history.

Literature

Structural basis of affinity maturation and intramolecular cooperativity in a protein-protein interaction.

Cho, S., Swaminathan, C.P., Yang, J., Kerzic, M.C., Guan, R., Kieke, M.C., Kranz, D.M., Mariuzza, R.A., Sundberg, E.J.

(2005) Structure 13: 1775-1787

PubMed: 16338399 Search on PubMed
DOI: https://doi.org/10.1016/j.str.2005.11.001
Primary Citation of Related Structures:
2APB, 2APF, 2APT, 2APV, 2APW, 2APX, 2AQ1, 2AQ2, 2AQ3

Macromolecule Content

Total Structure Weight: 158.12 kDa
Atom Count: 11,155
Modelled Residue Count: 1,376
Deposited Residue Count: 1,396
Unique protein chains: 2

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
T-cell receptor beta chain V	A, C, E, G	112	Mus musculus	Mutation(s): 0
UniProt
Find proteins for P04213 (Mus musculus) Explore P04213 Go to UniProtKB: P04213
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P04213
Sequence Annotations Expand
Reference Sequence

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
Enterotoxin type C-3	B, D, F, H	237	Staphylococcus aureus	Mutation(s): 0 Gene Names: entC3
UniProt
Find proteins for P0A0L5 (Staphylococcus aureus) Explore P0A0L5 Go to UniProtKB: P0A0L5
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P0A0L5
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.30 Å
R-Value Free: 0.271
R-Value Work: 0.206
R-Value Observed: 0.209
Space Group: P 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 64.16	α = 74.18
b = 70.46	β = 75.76
c = 98.37	γ = 88.4

Software Package:

Software Name	Purpose
REFMAC	refinement
PDB_EXTRACT	data extraction
DENZO	data reduction
SCALEPACK	data scaling
MOLREP	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2006-03-21

Deposition Author(s):

Swaminathan, C.P.

Revision History (Full details and data files)

Version 1.0: 2006-03-21
Type: Initial release
Version 1.1: 2008-04-30
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance

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.