Download MendeleyCrystal Structure for shikimate kinase from Mycobacterium tuberculosis in complex with AMP-PNP
Faim, L.M., Dias, M.V.B., Vasconcelos, I.G., Basso, L.A., Santos, D.S., Azevedo, W.F., Ruggiero, N.J.To be published.
3BAF
Crystal structure of shikimate kinase from Mycobacterium tuberculosis in complex with AMP-PNP
- PDB DOI: https://doi.org/10.2210/pdb3BAF/pdb
- Classification: TRANSFERASE
- Organism(s): Mycobacterium tuberculosis
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2007-11-07 Released: 2008-11-11
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.25 ?
- R-Value Free: 0.284
- R-Value Work: 0.207
- R-Value Observed: 0.210
Starting Model: experimental
View more details
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 |
| Shikimate kinase | 176 | Mycobacterium tuberculosis | Mutation(s): 0 Gene Names: aroK EC: 2.7.1.71 |  | |
UniProt | |||||
Find proteins for P9WPY3 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WPY3 Go to UniProtKB: P9WPY3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WPY3 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ANP Query on ANP | B [auth A] | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER C10 H17 N6 O12 P3 PVKSNHVPLWYQGJ-KQYNXXCUSA-N |  | ||
| SKM Query on SKM | C [auth A] | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID C7 H10 O5 JXOHGGNKMLTUBP-HSUXUTPPSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.25 ?
- R-Value Free: 0.284
- R-Value Work: 0.207
- R-Value Observed: 0.210
- Space Group: P 32 2 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 67.297 | ¦Á = 90 |
| b = 67.297 | ¦Â = 90 |
| c = 97.692 | ¦Ă = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| MAR345dtb | data collection |
| MOSFLM | data reduction |
| SCALA | data scaling |
| AMoRE | phasing |
Entry History
Deposition Data
- Released Date: 2008-11-11 Deposition Author(s): Faim, L.M., Dias, M.V.B., Vasconcelos, I.G., Basso, L.A., Santos, D.S., Azevedo, W.F., Ruggiero, N.J.
Revision History (Full details and data files)
- Version 1.0: 2008-11-11
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2018-01-31
Changes: Experimental preparation - Version 1.3: 2023-11-01
Changes: Data collection, Database references, Derived calculations, Refinement description
