Download MendeleyCrystal Structure of Mycobacterium tuberculosis 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD): a candidate antitubercular drug target
Reddy, M.C.M., Bruning, J.B., Thurman, C., Ioerger, T.R., Sacchettini, J.C.(2011) Proteins
3Q7U
Structure of Mtb 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD) complexed with CTP
- PDB DOI: https://doi.org/10.2210/pdb3Q7U/pdb
- Classification: TRANSFERASE
- Organism(s): Mycobacterium tuberculosis H37Rv
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2011-01-05 Released: 2011-05-04
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.236
- R-Value Work: 0.188
- R-Value Observed: 0.191
Starting Model: experimental
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This is version 1.3 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 |
| 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase | 231 | Mycobacterium tuberculosis H37Rv | Mutation(s): 0 Gene Names: ispD, Rv3582c, MT3688, MTCY06G11.29c EC: 2.7.7.60 |  | |
UniProt | |||||
Find proteins for P9WKG9 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WKG9 Go to UniProtKB: P9WKG9 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WKG9 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CTP Query on CTP | D [auth A], E [auth B] | CYTIDINE-5'-TRIPHOSPHATE C9 H16 N3 O14 P3 PCDQPRRSZKQHHS-XVFCMESISA-N |  | ||
| MG Query on MG | C [auth A], F [auth B] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.236
- R-Value Work: 0.188
- R-Value Observed: 0.191
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 55.214 | α = 90 |
| b = 76.756 | β = 90 |
| c = 131.538 | γ = 90 |
| Software Name | Purpose |
|---|---|
| d*TREK | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data collection |
| d*TREK | data reduction |
Entry History
Deposition Data
- Released Date: 2011-05-04 Deposition Author(s): Reddy, M.C.M., Bruning, J.B., Thurman, C., Ioerger, T.R., Sacchettini, J.C., TB Structural Genomics Consortium (TBSGC)
Revision History (Full details and data files)
- Version 1.0: 2011-05-04
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2014-11-12
Changes: Structure summary - Version 1.3: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
