Download MendeleyStructure of FbsH, an NRPS adenylation domain in the fimsbactin biosynthetic pathway bound to Salicyl-AMS
Ahmed, S.F., Yang, J., Wencewicz, T.A., Gulick, A.M.To be published.
9BHZ
Structure of FbsH, an NRPS adenylation domain in the fimsbactin biosynthetic pathway bound to Salicyl-AMS
- PDB DOI: https://doi.org/10.2210/pdb9BHZ/pdb
- Classification: LIGASE/INHIBITOR
- Organism(s): Acinetobacter baumannii ATCC 17978
- Expression System: Escherichia coli 'BL21-Gold(DE3)pLysS AG
- Mutation(s): No
- Deposited: 2024-04-22 Released: 2024-11-20
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.22 Å
- R-Value Free: 0.239
- R-Value Work: 0.198
- R-Value Observed: 0.199
Starting Model: in silico
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This is version 1.0 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 |
| 2,3-dihydroxybenzoate-AMP ligase | 574 | Acinetobacter baumannii ATCC 17978 | Mutation(s): 0 Gene Names: AUO97_01775 |  | |
UniProt | |||||
Find proteins for A0A5P1UDB1 (Acinetobacter baumannii) Explore A0A5P1UDB1 Go to UniProtKB: A0A5P1UDB1 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A5P1UDB1 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| KT0 (Subject of Investigation/LOI) Query on KT0 | C [auth A], E [auth B] | 5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine C17 H18 N6 O8 S SABYITLYKSVAAD-CNEMSGBDSA-N |  | ||
| EDO Query on EDO | D [auth A], F [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.22 Å
- R-Value Free: 0.239
- R-Value Work: 0.198
- R-Value Observed: 0.199
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 56.329 | α = 85.05 |
| b = 74.17 | β = 69.91 |
| c = 75.557 | γ = 70.09 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| xia2 | data reduction |
| xia2 | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-11-20 Deposition Author(s): Ahmed, S.F., Gulick, A.M.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | GM136235 |
Revision History (Full details and data files)
- Version 1.0: 2024-11-20
Type: Initial release
