Download MendeleyThree-Dimensional Structure of Phosphopantetheine Adenylyltransferase from Mycobacterium
Timofeev, V.I., Smirnova, E.A., Chupova, L.A., Esipov, R.S., Kuranova, I.P.(2012) Crystallogr Rep 57: 97
3RHS
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis complexed with CoA
- PDB DOI: https://doi.org/10.2210/pdb3RHS/pdb
- Classification: TRANSFERASE
- Organism(s): Mycobacterium tuberculosis
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2011-04-12 Released: 2012-04-11
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.59 Å
- R-Value Free: 0.256
- R-Value Work: 0.210
- R-Value Observed: 0.212
This is version 1.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Phosphopantetheine adenylyltransferase | 157 | Mycobacterium tuberculosis | Mutation(s): 0 Gene Names: coaD, kdtB, Rv2965c, MT3043, MTCY349.22, u0002e EC: 2.7.7.3 |  | |
UniProt | |||||
Find proteins for P9WPA5 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WPA5 Go to UniProtKB: P9WPA5 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WPA5 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| COA Query on COA | B [auth A] | COENZYME A C21 H36 N7 O16 P3 S RGJOEKWQDUBAIZ-IBOSZNHHSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.59 Å
- R-Value Free: 0.256
- R-Value Work: 0.210
- R-Value Observed: 0.212
- Space Group: H 3 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 98.886 | α = 90 |
| b = 98.886 | β = 90 |
| c = 114.869 | γ = 120 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| PHASER | phasing |
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2012-04-11 Deposition Author(s): Timofeev, V.I., Smirnova, E.A., Chupova, L.A., Esipov, R.S., Kuranova, I.P.
Revision History (Full details and data files)
- Version 1.0: 2012-04-11
Type: Initial release - Version 1.1: 2024-02-21
Changes: Data collection, Database references, Derived calculations
