Download MendeleyCrystal Structure of Type III pantothenate kinase (PanK III) from Burkholderia cenocepacia complexed with pantothenate, imidodiphosphate, and AMP
SSGCID, Dranow, D.M., Abendroth, J., Lorimer, D., Edwards, T.E.To be published.
5B8H
Crystal Structure of Type III pantothenate kinase (PanK III) from Burkholderia cenocepacia complexed with pantothenate, imidodiphosphate, and AMP
- PDB DOI: https://doi.org/10.2210/pdb5B8H/pdb
- Classification: TRANSFERASE
- Organism(s): Burkholderia cenocepacia J2315
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2015-04-27 Released: 2015-05-13
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.228
- R-Value Work: 0.188
- R-Value Observed: 0.190
This is version 1.2 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 |
| Type III pantothenate kinase | 290 | Burkholderia cenocepacia J2315 | Mutation(s): 0 Gene Names: coaX, BceJ2315_06870, BCAL0693 EC: 2.7.1.33 |  | |
UniProt | |||||
Find proteins for B4E9P3 (Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656 / NCTC 13227 / J2315 / CF5610)) Explore B4E9P3 Go to UniProtKB: B4E9P3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | B4E9P3 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| AMP Query on AMP | F [auth A] | ADENOSINE MONOPHOSPHATE C10 H14 N5 O7 P UDMBCSSLTHHNCD-KQYNXXCUSA-N |  | ||
| PAU Query on PAU | D [auth A], H [auth B] | PANTOTHENOIC ACID C9 H17 N O5 GHOKWGTUZJEAQD-ZETCQYMHSA-N |  | ||
| 2PN Query on 2PN | C [auth A], G [auth B] | IMIDODIPHOSPHORIC ACID H5 N O6 P2 GNGSOPFGGKKDQP-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | E [auth A], I [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-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: 2.20 Å
- R-Value Free: 0.228
- R-Value Work: 0.188
- R-Value Observed: 0.190
- Space Group: P 21 21 21
- Diffraction Data: https://doi.org/10.18430/M35B8H
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 44.21 | α = 90 |
| b = 72.75 | β = 90 |
| c = 154.02 | γ = 90 |
| Software Name | Purpose |
|---|---|
| XSCALE | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| ARP | model building |
Entry History
Deposition Data
- Released Date: 2015-05-13 Deposition Author(s): Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Revision History (Full details and data files)
- Version 1.0: 2015-05-13
Type: Initial release - Version 1.1: 2023-09-27
Changes: Data collection, Database references, Derived calculations, Refinement description, Source and taxonomy - Version 1.2: 2023-11-15
Changes: Data collection
