Download MendeleyNortheast Structural Genomics Consortium Target CaR165
Kuzin, A., Chen, Y., Seetharaman, J., Sahdev, S., Xiao, R., Ciccosanti, C., Zhao, L., Everett, J.K., Nair, R., Acton, T.B., Rost, B., Montelione, G.T., Hunt, J.F., Tong, L.To be published.
3MGD
Crystal Structure of predicted acetyltransferase with acetyl-CoA from Clostridium acetobutylicum at the resolution 1.9A, Northeast Structural Genomics Consortium Target CaR165
- PDB DOI: https://doi.org/10.2210/pdb3MGD/pdb
- Classification: TRANSFERASE
- Organism(s): Clostridium acetobutylicum
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2010-04-05 Released: 2010-04-28
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.228
- R-Value Work: 0.180
- R-Value Observed: 0.182
This is version 1.3 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 |
| Predicted acetyltransferase | 157 | Clostridium acetobutylicum | Mutation(s): 0 Gene Names: CA_C0160 |  | |
UniProt | |||||
Find proteins for Q97MN4 (Clostridium acetobutylicum (strain ATCC 824 / DSM 792 / JCM 1419 / LMG 5710 / VKM B-1787)) Explore Q97MN4 Go to UniProtKB: Q97MN4 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q97MN4 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ACO Query on ACO | C [auth A], D [auth B] | ACETYL COENZYME *A C23 H38 N7 O17 P3 S ZSLZBFCDCINBPY-ZSJPKINUSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A, B | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.228
- R-Value Work: 0.180
- R-Value Observed: 0.182
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 57.933 | α = 90 |
| b = 56.341 | β = 98.86 |
| c = 99.721 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
| SnB | phasing |
| REFMAC | refinement |
Entry History
Deposition Data
- Released Date: 2010-04-28 Deposition Author(s): Kuzin, A., Chen, Y., Seetharaman, J., Sahdev, S., Xiao, R., Ciccosanti, C., Zhao, L., Everett, J.K., Nair, R., Acton, T.B., Rost, B., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)
Revision History (Full details and data files)
- Version 1.0: 2010-04-28
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2017-11-08
Changes: Refinement description - Version 1.3: 2019-07-17
Changes: Data collection, Derived calculations, Refinement description
