Download MendeleyX-ray crystallographic structure of Inorganic Pyrophosphatase at 298K from archaeon Thermococcus thioreducens
Hughes, R.C., Coates, L., Meehan, E.J., Ng, J.D.To be published.
3I98
X-ray crystallographic structure of Inorganic Pyrophosphatase at 298K from archaeon Thermococcus thioreducens
- PDB DOI: https://doi.org/10.2210/pdb3I98/pdb
- Classification: HYDROLASE
- Organism(s): Thermococcus thioreducens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2009-07-10 Released: 2009-08-18
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.85 Å
- R-Value Free: 0.184
- R-Value Work: 0.148
- R-Value Observed: 0.150
wwPDB Validation 3D Report Full Report
This is version 1.4 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 |
| Th-IPP | 178 | Thermococcus thioreducens | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for H0USY5 (Thermococcus thioreducens) Explore H0USY5 Go to UniProtKB: H0USY5 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | H0USY5 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MPD Query on MPD | J [auth C] | (4S)-2-METHYL-2,4-PENTANEDIOL C6 H14 O2 SVTBMSDMJJWYQN-YFKPBYRVSA-N |  | ||
| MRD Query on MRD | G [auth A], P [auth F] | (4R)-2-METHYLPENTANE-2,4-DIOL C6 H14 O2 SVTBMSDMJJWYQN-RXMQYKEDSA-N |  | ||
| ACE Query on ACE | M [auth E] | ACETYL GROUP C2 H4 O IKHGUXGNUITLKF-UHFFFAOYSA-N |  | ||
| CA Query on CA | H [auth A] I [auth B] K [auth C] L [auth D] N [auth E] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.85 Å
- R-Value Free: 0.184
- R-Value Work: 0.148
- R-Value Observed: 0.150
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 106.112 | α = 90 |
| b = 95.464 | β = 98.12 |
| c = 113.677 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| MOLREP | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| SERGUI | data collection |
Entry History
Deposition Data
- Released Date: 2009-08-18 Deposition Author(s): Hughes, R.C., Coates, L., Meehan, E.J., Ng, J.D.
Revision History (Full details and data files)
- Version 1.0: 2009-08-18
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2011-11-16
Changes: Atomic model, Non-polymer description - Version 1.3: 2017-11-01
Changes: Advisory, Refinement description - Version 1.4: 2023-09-06
Changes: Advisory, Data collection, Database references, Derived calculations, Experimental preparation, Refinement description
