Download MendeleyStructural Insights and Inhibition of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS): an Essential Enzyme for Tryptophan Biosynthesis
Reddy, M.C.M., Bruning, J.B., Thurman, C., Sacchettini, J.C.To be published.
3T40 | pdb_00003t40
Crystal Structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) complex with N-2-Carboxyphenyl Glycine (CPG)
- PDB DOI: https://doi.org/10.2210/pdb3T40/pdb
- Classification: TRANSFERASE
- Organism(s): Mycobacterium tuberculosis
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2011-07-25 Released: 2012-08-08
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.75 Å
- R-Value Free: 0.220 (Depositor), 0.220 (DCC)
- R-Value Work: 0.178 (Depositor), 0.180 (DCC)
- R-Value Observed: 0.180 (Depositor)
Starting Model: experimental
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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 |
| Indole-3-glycerol phosphate synthase | 272 | Mycobacterium tuberculosis | Mutation(s): 0 Gene Names: MT1646, MTCY01B2.03, Rv1611, trpC EC: 4.1.1.48 |  | |
UniProt | |||||
Find proteins for P9WFX7 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WFX7 Go to UniProtKB: P9WFX7 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WFX7 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 3RG Query on 3RG | B [auth A] | 2-[(carboxymethyl)amino]benzoic acid C9 H9 N O4 PJUXPMVQAZLJEX-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | C [auth A], D [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.75 Å
- R-Value Free: 0.220 (Depositor), 0.220 (DCC)
- R-Value Work: 0.178 (Depositor), 0.180 (DCC)
- R-Value Observed: 0.180 (Depositor)
Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 45.844 | α = 90 |
| b = 53.019 | β = 90 |
| c = 88.473 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SCALEPACK | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data collection |
| DENZO | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2012-08-08 Deposition Author(s): Reddy, M.C.M., Bruning, J.B., Thurman, C., Sacchettini, J.C., TB Structural Genomics Consortium (TBSGC)
Revision History (Full details and data files)
- Version 1.0: 2012-08-08
Type: Initial release - Version 1.1: 2017-11-08
Changes: Refinement description - Version 1.2: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
