Download MendeleyCrystal Structure of MCSG Target APC35536 from Bacillus stearothermophilus
BRUNZELLE, J.S., SOMMERHALTER, M., MINASOV, G., SHUVALOVA, L., COLLART, F.R., ANDERSON, W.F., Midwest Center for Structural Genomics (MCSG)To be published.
1XA0 | pdb_00001xa0
Crystal Structure of MCSG Target APC35536 from Bacillus stearothermophilus
- PDB DOI: https://doi.org/10.2210/pdb1XA0/pdb
- Classification: STRUCTURAL GENOMICS, UNKNOWN FUNCTION
- Organism(s): Geobacillus stearothermophilus
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2004-08-24 Released: 2004-10-05
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.80 Å
- R-Value Free: 0.269 (Depositor), 0.270 (DCC)
- R-Value Work: 0.212 (Depositor), 0.220 (DCC)
- R-Value Observed: 0.218 (Depositor)
wwPDB Validation 3D Report Full Report
This is version 1.6 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 |
| Putative NADPH Dependent oxidoreductases | 328 | Geobacillus stearothermophilus | Mutation(s): 0 |  | |
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 | |
| SO4 Query on SO4 | C [auth A], D [auth A], F [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| CL Query on CL | E [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A, B | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.80 Å
- R-Value Free: 0.269 (Depositor), 0.270 (DCC)
- R-Value Work: 0.212 (Depositor), 0.220 (DCC)
- R-Value Observed: 0.218 (Depositor)
Space Group: P 41 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 156.236 | α = 90 |
| b = 156.236 | β = 90 |
| c = 68.569 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| SCALEPACK | data scaling |
| CNS | refinement |
| MAR345 | data collection |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2004-10-05 Deposition Author(s): Brunzelle, J.S., Sommerhalter, M., Minasov, G., Shuvalova, L., Collart, F.R., Anderson, W.F., Midwest Center for Structural Genomics (MCSG)
Revision History (Full details and data files)
- Version 1.0: 2004-10-05
Type: Initial release - Version 1.1: 2008-04-30
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Advisory, Version format compliance - Version 1.3: 2017-10-11
Changes: Refinement description - Version 1.4: 2018-01-31
Changes: Database references - Version 1.5: 2019-07-24
Changes: Data collection, Derived calculations, Refinement description - Version 1.6: 2024-11-13
Changes: Data collection, Database references, Derived calculations, Structure summary
