Download MendeleyStructure of human MAIT BV28 TCR in complex with human MR1-5-OP-RU
Awad, W., Rossjohn, J.To be published.
9BYS | pdb_00009bys
Structure of human MAIT BV28 TCR in complex with human MR1-5-OP-RU
- PDB DOI: https://doi.org/10.2210/pdb9BYS/pdb
- Classification: IMMUNE SYSTEM
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2024-05-24 Released: 2025-06-11
- Funding Organization(s): Australian Research Council (ARC), National Health and Medical Research Council (NHMRC, Australia)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 3.10 ?
- R-Value Free: 0.252 (Depositor), 0.252 (DCC)
- R-Value Work: 0.222 (Depositor), 0.222 (DCC)
- R-Value Observed: 0.224 (Depositor)
Starting Model: experimental
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This is version 1.0 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Major histocompatibility complex class I-related gene protein | 271 | Homo sapiens | Mutation(s): 0 Gene Names: MR1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q95460 (Homo sapiens) Explore Q95460 Go to UniProtKB: Q95460 | |||||
PHAROS: Q95460 GTEx: ENSG00000153029 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q95460 | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| TCR beta chain | B [auth AAAB] | 244 | Homo sapiens | Mutation(s): 0 |  |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| TCR alpha chain | C [auth AAAC] | 204 | Homo sapiens | 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 |
| Beta-2-microglobulin | D [auth AAAD] | 100 | Homo sapiens | Mutation(s): 0 Gene Names: B2M, CDABP0092, HDCMA22P |  |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P61769 (Homo sapiens) Explore P61769 Go to UniProtKB: P61769 | |||||
PHAROS: P61769 GTEx: ENSG00000166710 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P61769 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| Q87 (Subject of Investigation/LOI) Query on Q87 | E [auth A] | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol C12 H18 N4 O7 LXKLTDXEFFOBPT-CEKOQDAHSA-N |  | ||
| GOL Query on GOL | F [auth A], G [auth A], H [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 3.10 ?
- R-Value Free: 0.252 (Depositor), 0.252 (DCC)
- R-Value Work: 0.222 (Depositor), 0.222 (DCC)
- R-Value Observed: 0.224 (Depositor)
Space Group: P 41 21 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 111.35 | ¦Á = 90 |
| b = 111.35 | ¦Â = 90 |
| c = 206.46 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| PHENIX | refinement |
| XDS | data reduction |
| XDS | data scaling |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-06-11 Deposition Author(s): Awad, W., Rossjohn, J.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Australian Research Council (ARC) | Australia | DE220101491 |
| National Health and Medical Research Council (NHMRC, Australia) | Australia | -- |
Revision History (Full details and data files)
- Version 1.0: 2025-06-11
Type: Initial release
