Download MendeleyInhibition of Mycobacterium tuberculosis acetyl-CoA carboxyltransferase(AccD6)d omain of acetyl-coenzyme A carboxylase by quizalofop-p
Reddy, M.C.M., Sacchettini, J.C.To be published.
6P7U
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P FROM MYCOBACTERIUM TUBERCULOSIS
- PDB DOI: https://doi.org/10.2210/pdb6P7U/pdb
- Classification: TRANSFERASE
- Organism(s): Mycobacterium tuberculosis H37Rv
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2019-06-06 Released: 2020-06-10
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 ?
- R-Value Free: 0.206
- R-Value Work: 0.171
- R-Value Observed: 0.172
Starting Model: experimental
View more details
This is version 1.1 of the entry. See complete history.
Re-refinement Note
This entry reflects an alternative modeling of the original data in: 4G2R
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Probable propionyl-CoA carboxylase beta chain 6 | 473 | Mycobacterium tuberculosis H37Rv | Mutation(s): 0 Gene Names: accD6, Rv2247, MTCY427.28 EC: 6.4.1.3 (PDB Primary Data), 2.1.3.15 (UniProt), 2.1.3 (UniProt) |  | |
UniProt | |||||
Find proteins for P9WQH5 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WQH5 Go to UniProtKB: P9WQH5 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WQH5 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FTJ (Subject of Investigation/LOI) Query on FTJ | E [auth A], F [auth B], G [auth C], H [auth D] | (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid C17 H13 Cl N2 O4 ABOOPXYCKNFDNJ-SNVBAGLBSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 ?
- R-Value Free: 0.206
- R-Value Work: 0.171
- R-Value Observed: 0.172
- Space Group: P 21 21 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 149.604 | ¦Á = 90 |
| b = 153.343 | ¦Â = 90 |
| c = 102.863 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
| PDB_EXTRACT | data extraction |
Entry History
Deposition Data
- Released Date: 2020-06-10 Deposition Author(s): Reddy, M.C.M., Sacchettini, J.C., Center for Structural Genomics of Infectious Diseases (CSGID)
Revision History (Full details and data files)
- Version 1.0: 2020-06-10
Type: Initial release - Version 1.1: 2023-10-11
Changes: Data collection, Database references, Refinement description
