Download MendeleyCrystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017
Chou, A., Miller, M.D., Olmos Jr., J.L., Xu, W., Clomburg, J.M., Gonzalez, R., Philips Jr., G.N.To be published.
6XN8
Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017
- PDB DOI: https://doi.org/10.2210/pdb6XN8/pdb
- Classification: LYASE
- Organism(s): Rhodospirillales bacterium URHD0017
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2020-07-02 Released: 2021-07-07
- Funding Organization(s): National Science Foundation (NSF, United States), National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS), National Institutes of Health/National Cancer Institute (NIH/NCI)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.212
- R-Value Work: 0.186
- R-Value Observed: 0.187
This is version 1.1 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 |
| 2-hydroxyacyl-CoA lyase 1 | 552 | Rhodospirillales bacterium URHD0017 | Mutation(s): 0 Gene Names: SAMN02990966_07839 |  | |
UniProt | |||||
Find proteins for A0A1H8YFL8 (Rhodospirillales bacterium URHD0017) Explore A0A1H8YFL8 Go to UniProtKB: A0A1H8YFL8 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A1H8YFL8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| TZD (Subject of Investigation/LOI) Query on TZD | D [auth A], H [auth B] | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN
DIPHOSPHATE C12 H18 N4 O8 P2 S ZGJUYGIRPQSCFA-UHFFFAOYSA-N |  | ||
| ADP (Subject of Investigation/LOI) Query on ADP | E [auth A], I [auth B] | ADENOSINE-5'-DIPHOSPHATE C10 H15 N5 O10 P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N |  | ||
| MG (Subject of Investigation/LOI) Query on MG | C [auth A], G [auth B] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
| UNL Query on UNL | F [auth A], J [auth B] | Unknown ligand JLVVSXFLKOJNIY-UHFFFAOYSA-N | |||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.212
- R-Value Work: 0.186
- R-Value Observed: 0.187
- Space Group: I 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 103.94 | α = 90 |
| b = 64.431 | β = 90.88 |
| c = 182.693 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PDB_EXTRACT | data extraction |
| PHENIX | refinement |
| ARP/wARP | model building |
| PHASER | phasing |
| Aimless | data scaling |
| DIALS | data reduction |
| xia2 | data reduction |
| JBluIce-EPICS | data collection |
Entry History & Funding Information
Deposition Data
- Released Date: 2021-07-07 Deposition Author(s): Miller, M.D., Xu, W., Olmos Jr., J.L., Chou, A., Clomburg, J.M., Gonzalez, R., Philips Jr., G.N.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Science Foundation (NSF, United States) | United States | STC 1231306 |
| National Science Foundation (NSF, United States) | United States | CBET-1605999 |
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | R01 GM115261 |
| National Institutes of Health/National Cancer Institute (NIH/NCI) | United States | R01 CA217255 |
| National Science Foundation (NSF, United States) | United States | GRFP 1450681 |
Revision History (Full details and data files)
- Version 1.0: 2021-07-07
Type: Initial release - Version 1.1: 2023-10-18
Changes: Data collection, Database references, Refinement description
