Download MendeleyCrystal structure of Human Prostaglandin reductase 1 (PTGR1) in complex with methotrexate (P1 form)
Lovell, S., Enayati, P., Cooper, A., Liu, L., Battaile, K.P.To be published.
9D71 | pdb_00009d71
Crystal structure of Human Prostaglandin reductase 1 (PTGR1) in complex with methotrexate (P1 form)
- PDB DOI: https://doi.org/10.2210/pdb9D71/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2024-08-16 Released: 2025-08-20
- Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID), National Institutes of Health/Office of the Director
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.252 (Depositor), 0.253 (DCC)
- R-Value Work: 0.212 (Depositor), 0.216 (DCC)
- R-Value Observed: 0.214 (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 |
| Prostaglandin reductase 1 | 331 | Homo sapiens | Mutation(s): 1 Gene Names: PTGR1, LTB4DH EC: 1.3.1.48 (PDB Primary Data), 1.3.1.74 (PDB Primary Data) |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q14914 (Homo sapiens) Explore Q14914 Go to UniProtKB: Q14914 | |||||
PHAROS: Q14914 GTEx: ENSG00000106853 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q14914 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MTX (Subject of Investigation/LOI) Query on MTX | E [auth A], F [auth B], G [auth C] | METHOTREXATE C20 H22 N8 O5 FBOZXECLQNJBKD-ZDUSSCGKSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.252 (Depositor), 0.253 (DCC)
- R-Value Work: 0.212 (Depositor), 0.216 (DCC)
- R-Value Observed: 0.214 (Depositor)
Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 67.356 | α = 70.62 |
| b = 67.806 | β = 87.04 |
| c = 84.762 | γ = 84.65 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| Aimless | data scaling |
| XDS | data reduction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-08-20 Deposition Author(s): Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | 75N93022C00036 |
| National Institutes of Health/Office of the Director | United States | S10OD030394 |
Revision History (Full details and data files)
- Version 1.0: 2025-08-20
Type: Initial release
