Download MendeleyStructure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases
Mindrebo, J.T., Chen, A., Kim, W.E., Re, R.N., Davis, T.D., Noel, J.P., Burkart, M.D.(2021) ACS Catal 11: 6787-6799
7L4E
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16:1-crypto Acyl Carrier Protein, AcpP
- PDB DOI: https://doi.org/10.2210/pdb7L4E/pdb
- Classification: TRANSFERASE
- Organism(s): Escherichia coli K-12
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2020-12-18 Released: 2021-10-06
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.207
- R-Value Work: 0.167
- R-Value Observed: 0.170
Starting Model: experimental
View more details
This is version 1.2 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 |
| 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 413 | Escherichia coli K-12 | Mutation(s): 0 Gene Names: fabF, fabJ, b1095, JW1081 EC: 2.3.1.179 |  | |
UniProt | |||||
Find proteins for P0AAI5 (Escherichia coli (strain K12)) Explore P0AAI5 Go to UniProtKB: P0AAI5 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0AAI5 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Acyl carrier protein | 78 | Escherichia coli K-12 | Mutation(s): 0 Gene Names: acpP, b1094, JW1080 |  | |
UniProt | |||||
Find proteins for P0A6A8 (Escherichia coli (strain K12)) Explore P0A6A8 Go to UniProtKB: P0A6A8 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0A6A8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MU4 (Subject of Investigation/LOI) Query on MU4 | E [auth B] | N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide C27 H54 N3 O8 P KCTLTWRYJGTZMN-VWLOTQADSA-N |  | ||
| EDO Query on EDO | C [auth A], D [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.207
- R-Value Work: 0.167
- R-Value Observed: 0.170
- Space Group: P 43 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 86.95 | α = 90 |
| b = 86.95 | β = 90 |
| c = 114.48 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| MOSFLM | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
| PDB_EXTRACT | data extraction |
Entry History & Funding Information
Deposition Data
- Released Date: 2021-10-06 Deposition Author(s): Mindrebo, J.T., Chen, A., Kim, W.E., Burkart, M.D., Noel, J.P.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | 095970-09 |
Revision History (Full details and data files)
- Version 1.0: 2021-10-06
Type: Initial release - Version 1.1: 2023-10-18
Changes: Data collection, Refinement description - Version 1.2: 2024-10-09
Changes: Structure summary
