Download MendeleyCrystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis Complexed with Beta-gamma ATP and Beta-alanine.
Maltseva, N., Kim, Y., Kwon, K., Anderson, W.F., Joachimiak, A.To be published.
3QTT
Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis Complexed with Beta-gamma ATP and Beta-alanine
- PDB DOI: https://doi.org/10.2210/pdb3QTT/pdb
- Classification: LIGASE
- Organism(s): Francisella tularensis subsp. tularensis
- Expression System: Escherichia coli BL21
- Mutation(s): No
- Deposited: 2011-02-23 Released: 2011-03-23
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.251
- R-Value Work: 0.168
- R-Value Observed: 0.176
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 |
| Pantothenate synthetase | 264 | Francisella tularensis subsp. tularensis | Mutation(s): 0 Gene Names: FTT_1390, panC EC: 6.3.2.1 |  | |
UniProt | |||||
Find proteins for Q5NF57 (Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)) Explore Q5NF57 Go to UniProtKB: Q5NF57 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q5NF57 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ANP Query on ANP | C [auth A], H [auth B] | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER C10 H17 N6 O12 P3 PVKSNHVPLWYQGJ-KQYNXXCUSA-N |  | ||
| PRO Query on PRO | D [auth A], G [auth B] | PROLINE C5 H9 N O2 ONIBWKKTOPOVIA-BYPYZUCNSA-N |  | ||
| BAL Query on BAL | F [auth A], I [auth B] | BETA-ALANINE C3 H7 N O2 UCMIRNVEIXFBKS-UHFFFAOYSA-N |  | ||
| MG Query on MG | E [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
| 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: 2.60 Å
- R-Value Free: 0.251
- R-Value Work: 0.168
- R-Value Observed: 0.176
- Space Group: P 43
- Diffraction Data: https://doi.org/10.18430/m33qtt
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 47.147 | α = 90 |
| b = 47.147 | β = 90 |
| c = 257.661 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SBC-Collect | data collection |
| HKL-3000 | data collection |
| HKL-3000 | phasing |
| SHELX | model building |
| RESOLVE | model building |
| BUCCANEER | model building |
| PHENIX | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| SHELX | phasing |
| RESOLVE | phasing |
| BUCCANEER | phasing |
Entry History
Deposition Data
- Released Date: 2011-03-23 Deposition Author(s): Maltseva, N., Kim, Y., Kwon, K., Anderson, W.F., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Revision History (Full details and data files)
- Version 1.0: 2011-03-23
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2017-11-08
Changes: Advisory, Refinement description - Version 1.3: 2024-11-27
Changes: Advisory, Data collection, Database references, Derived calculations, Structure summary
