Download MendeleyCrystal structure of dihydropteroate synthase (folP-SMZ_B27) from soil uncultured bacterium in complex with 6-hydroxymethyl-7,8-dihydropterin pyrophosphate
Stogios, P.J.To be published.
8D5G
Crystal structure of dihydropteroate synthase (folP-SMZ_B27) from soil uncultured bacterium in complex with 6-hydroxymethyl-7,8-dihydropterin pyrophosphate
- PDB DOI: https://doi.org/10.2210/pdb8D5G/pdb
- Classification: TRANSFERASE
- Organism(s): uncultured bacterium
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2022-06-04 Released: 2022-06-15
- Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.78 Å
- R-Value Free: 0.246
- R-Value Work: 0.206
- R-Value Observed: 0.208
This is version 1.1 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 |
| folP-SMZ_B27 | 273 | uncultured bacterium | Mutation(s): 0 Gene Names: folP-SMZ_B27 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HH2 (Subject of Investigation/LOI) Query on HH2 | C [auth A], G [auth B] | 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE C7 H9 N5 O8 P2 AMDUVUKDRBIVAH-UHFFFAOYSA-N |  | ||
| CL Query on CL | D [auth A], E [auth A], F [auth A], H [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.78 Å
- R-Value Free: 0.246
- R-Value Work: 0.206
- R-Value Observed: 0.208
- Space Group: P 64 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 101.54 | α = 90 |
| b = 101.54 | β = 90 |
| c = 207.009 | γ = 120 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| PHENIX | phasing |
| PHENIX | model building |
| Coot | model building |
Entry History & Funding Information
Deposition Data
- Released Date: 2022-06-15 Deposition Author(s): Stogios, P.J., Skarina, T., Di Leo, R., Savchenko, A., Joachimiak, A., Satchell, K.J.F., Center for Structural Genomics of Infectious Diseases (CSGID)
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | HHSN272201700060C |
Revision History (Full details and data files)
- Version 1.0: 2022-06-15
Type: Initial release - Version 1.1: 2023-10-18
Changes: Data collection, Refinement description
