3QIU
Crystal structure of the 226 TCR in complex with MCC/I-Ek
- PDB DOI: https://doi.org/10.2210/pdb3QIU/pdb
- Classification: IMMUNE SYSTEM
- Organism(s): Mus musculus, Manduca sexta
- Expression System: Trichoplusia ni, Escherichia coli
- Mutation(s): No 
- Deposited: 2011-01-27 Released: 2011-04-27 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.70 Å
- R-Value Free: 0.254 
- R-Value Work: 0.215 
- R-Value Observed: 0.217 
This is version 1.3 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 |
H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K alpha chain | 179 | Mus musculus | Mutation(s): 0  | ||
UniProt | |||||
Find proteins for P04224 (Mus musculus) Explore P04224  Go to UniProtKB:  P04224 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P04224 | ||||
Sequence AnnotationsExpand | |||||
|
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
MHC CLASS II H2-IA-BETA CHAIN | 196 | Mus musculus | Mutation(s): 0  Gene Names: H2-Eb1 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P04230 (Mus musculus) Explore P04230  Go to UniProtKB:  P04230 | |||||
IMPC:  MGI:95901 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P04230 | ||||
Sequence AnnotationsExpand | |||||
|
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 3 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
TCR 226 alpha chain | 205 | Mus musculus | Mutation(s): 0  | ||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
|
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 4 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
TCR 226 beta chain | 243 | Mus musculus | Mutation(s): 0  | ||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
|
Find similar proteins by: Sequence | 3D Structure
Entity ID: 5 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
MCC peptide | 13 | Manduca sexta | Mutation(s): 0  | ||
UniProt | |||||
Find proteins for P00039 (Manduca sexta) Explore P00039  Go to UniProtKB:  P00039 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P00039 | ||||
Sequence AnnotationsExpand | |||||
|
Small Molecules
Ligands 1 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NAG Query on NAG | F [auth A], G [auth B] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.70 Å
- R-Value Free: 0.254 
- R-Value Work: 0.215 
- R-Value Observed: 0.217 
- Space Group: P 1 21 1
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 72.79 | α = 90 |
b = 71.4 | β = 90.75 |
c = 106.07 | γ = 90 |
Software Name | Purpose |
---|---|
MOSFLM | data reduction |
SCALA | data scaling |
PHASER | phasing |
PHENIX | refinement |
PDB_EXTRACT | data extraction |
Entry History 
Deposition Data
- Released Date: 2011-04-27  Deposition Author(s): Kruse, A.C., Ely, L.K., Newell, E.W., Davis, M.M., Garcia, K.C.
Revision History (Full details and data files)
- Version 1.0: 2011-04-27
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2011-08-10
Changes: Database references - Version 1.3: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Data collection, Database references, Derived calculations, Structure summary