Download MendeleyCrystal structure of Thiopurine methyltransferase (18204406) from Mus musculus at 1.35 A resolution
Joint Center for Structural Genomics (JCSG)To be published.
2GB4 | pdb_00002gb4
Crystal structure of Thiopurine methyltransferase (18204406) from Mus musculus at 1.35 A resolution
- PDB DOI: https://doi.org/10.2210/pdb2GB4/pdb
- Classification: TRANSFERASE
- Organism(s): Mus musculus
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2006-03-09 Released: 2006-09-19
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.25 Å
- R-Value Free: 0.193 (Depositor), 0.190 (DCC)
- R-Value Work: 0.140 (DCC)
- R-Value Observed: 0.136 (Depositor)
Starting Model: experimental
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This is version 1.5 of the entry. See complete history.
Literature
To be published.
Macromolecules
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(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Thiopurine S-methyltransferase | 252 | Mus musculus | Mutation(s): 0 Gene Names: Tpmt EC: 2.1.1.67 |  | |
UniProt | |||||
Find proteins for O55060 (Mus musculus) Explore O55060 Go to UniProtKB: O55060 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O55060 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SAH Query on SAH | C [auth A], D [auth B] | S-ADENOSYL-L-HOMOCYSTEINE C14 H20 N6 O5 S ZJUKTBDSGOFHSH-WFMPWKQPSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.25 Å
- R-Value Free: 0.193 (Depositor), 0.190 (DCC)
- R-Value Work: 0.140 (DCC)
- R-Value Observed: 0.136 (Depositor)
Diffraction Data: https://doi.org/10.18430/M32GB4
Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 62.988 | α = 90 |
| b = 70.554 | β = 115.7 |
| c = 72.593 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SHELXL-97 | refinement |
| SCALEPACK | data scaling |
| PDB_EXTRACT | data extraction |
| DENZO | data reduction |
| MOLREP | phasing |
| REFMAC | refinement |
Entry History
Deposition Data
- Released Date: 2006-09-19 Deposition Author(s): Joint Center for Structural Genomics (JCSG)
Revision History (Full details and data files)
- Version 1.0: 2006-09-19
Type: Initial release - Version 1.1: 2008-04-01
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2019-07-24
Changes: Advisory, Data collection, Refinement description - Version 1.4: 2023-01-25
Changes: Advisory, Database references, Derived calculations - Version 1.5: 2023-09-20
Changes: Data collection, Refinement description
