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.
3T44
Crystal structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in complex with indole glycerol phosphate (IGP) amd anthranilate
- PDB DOI: https://doi.org/10.2210/pdb3T44/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: 1.60 Å
- R-Value Free: 0.195
- R-Value Work: 0.148
- R-Value Observed: 0.150
Starting Model: experimental
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This is version 2.0 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 | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| IGP Query on IGP | B [auth A] | INDOLE-3-GLYCEROL PHOSPHATE C11 H14 N O6 P NQEQTYPJSIEPHW-MNOVXSKESA-N |  | ||
| BE2 Query on BE2 | C [auth A] | 2-AMINOBENZOIC ACID C7 H7 N O2 RWZYAGGXGHYGMB-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.60 Å
- R-Value Free: 0.195
- R-Value Work: 0.148
- R-Value Observed: 0.150
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 46.553 | α = 90 |
| b = 53.222 | β = 90 |
| c = 86.855 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| PHASER | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data collection |
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 - Version 2.0: 2023-11-15
Changes: Atomic model, Data collection
