Download MendeleyCrystal structure of Schistosoma mansoni purine nucleoside phosphorylase (SmPNP) in complex with adenine, 8-aminoguanine, 8-azaguanine and 6-chloroguanine.
Pereira, H.M., Rezende, M.M., Oliva, G., Garratt, R.C.To be published.
3E9Z
Crystal structure of purine nucleoside phosphorylase from Schistosoma mansoni in complex with 6-chloroguanine
- PDB DOI: https://doi.org/10.2210/pdb3E9Z/pdb
- Classification: TRANSFERASE
- Organism(s): Schistosoma mansoni
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2008-08-24 Released: 2009-09-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.31 Å
- R-Value Free: 0.249
- R-Value Work: 0.177
- R-Value Observed: 0.180
Starting Model: experimental
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This is version 1.2 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 |
| Purine-nucleoside phosphorylase | 287 | Schistosoma mansoni | Mutation(s): 0 Gene Names: SmPNP EC: 2.4.2.1 |  | |
UniProt | |||||
Find proteins for Q9BMI9 (Schistosoma mansoni) Explore Q9BMI9 Go to UniProtKB: Q9BMI9 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9BMI9 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 6GU Query on 6GU | F [auth A], L [auth C] | 6-chloroguanine C5 H4 Cl N5 RYYIULNRIVUMTQ-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | E [auth A], J [auth B], M [auth C] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| DMS Query on DMS | D [auth A], G [auth A], H [auth B], K [auth C] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |  | ||
| ACT Query on ACT | I [auth B] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.31 Å
- R-Value Free: 0.249
- R-Value Work: 0.177
- R-Value Observed: 0.180
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 46.821 | α = 90 |
| b = 118.121 | β = 90 |
| c = 129.055 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MOSFLM | data reduction |
| SCALA | data scaling |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| MAR345dtb | data collection |
| REFMAC | phasing |
Entry History
Deposition Data
- Released Date: 2009-09-01 Deposition Author(s): Pereira, H.M., Rezende, M.M., Oliva, G., Garratt, R.C.
Revision History (Full details and data files)
- Version 1.0: 2009-09-01
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2023-08-30
Changes: Data collection, Database references, Derived calculations, Refinement description
