Download MendeleyCrystal structure of MccF-like protein (BA_5613) in the complex with aspartyl sulfamoyl adenylate
Nocek, B., Anderson, W.F., Joachimiak, A.To be published.
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Crystal structure of MccF-like protein (BA_5613) in the complex with aspartyl sulfamoyl adenylate
- PDB DOI: https://doi.org/10.2210/pdb5USD/pdb
- Classification: HYDROLASE
- Organism(s): Bacillus anthracis
- Expression System: Bacillus anthracis str. Ames
- Mutation(s): No
- Deposited: 2017-02-13 Released: 2017-03-15
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 ?
- R-Value Free: 0.210
- R-Value Work: 0.181
- R-Value Observed: 0.183
Starting Model: experimental
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This is version 1.3 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 |
| Peptidase S66 | 330 | Bacillus anthracis | Mutation(s): 0 Gene Names: yocD, GBAA_5613, A8C77_27310, BASH2_00378 |  | |
UniProt | |||||
Find proteins for A0A6L8PVW7 (Bacillus anthracis) Explore A0A6L8PVW7 Go to UniProtKB: A0A6L8PVW7 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A6L8PVW7 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| DSZ Query on DSZ | E [auth A], G [auth B], H [auth C], J [auth D] | 5'-O-(L-alpha-aspartylsulfamoyl)adenosine C14 H19 N7 O9 S KMRBRMHHDAUXAY-UFIIOMENSA-N |  | ||
| GOL Query on GOL | F [auth A], I [auth C] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A, B, C, D | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 ?
- R-Value Free: 0.210
- R-Value Work: 0.181
- R-Value Observed: 0.183
- Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 74.456 | ¦Á = 90 |
| b = 85.808 | ¦Â = 92.32 |
| c = 124.804 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2017-03-15 Deposition Author(s): Nocek, B., Anderson, W.F., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Revision History (Full details and data files)
- Version 1.0: 2017-03-15
Type: Initial release - Version 1.1: 2023-10-04
Changes: Data collection, Database references, Refinement description - Version 1.2: 2023-11-15
Changes: Data collection - Version 1.3: 2024-11-06
Changes: Structure summary
