Download MendeleyCrystal structure of a dehydrosqualene synthase in complex with ligand
Liu, G.Z., Liu, W.D., Chen, C.C., Guo, R.T.To be published.
5IYS
Crystal structure of a dehydrosqualene synthase in complex with ligand
- PDB DOI: https://doi.org/10.2210/pdb5IYS/pdb
- Classification: TRANSFERASE/TRANSFERASE INHIBITOR
- Organism(s): Enterococcus hirae ATCC 9790
- Mutation(s): No
- Deposited: 2016-03-24 Released: 2017-03-29
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.93 Å
- R-Value Free: 0.220 (Depositor), 0.220 (DCC)
- R-Value Work: 0.164 (Depositor), 0.170 (DCC)
- R-Value Observed: 0.167 (Depositor)
Starting Model: experimental
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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 |
| Phytoene synthase | 289 | Enterococcus hirae ATCC 9790 | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for I6T9U8 (Enterococcus hirae (strain ATCC 9790 / DSM 20160 / JCM 8729 / LMG 6399 / NBRC 3181 / NCIMB 6459 / NCDO 1258 / NCTC 12367 / WDCM 00089 / R)) Explore I6T9U8 Go to UniProtKB: I6T9U8 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | I6T9U8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FPS Query on FPS | G [auth A], H [auth A] | S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE C15 H28 O6 P2 S MYMLCRQRXFRQGP-YFVJMOTDSA-N |  | ||
| SO4 Query on SO4 | B [auth A], C [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| MG Query on MG | D [auth A], E [auth A], F [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.93 Å
- R-Value Free: 0.220 (Depositor), 0.220 (DCC)
- R-Value Work: 0.164 (Depositor), 0.170 (DCC)
- R-Value Observed: 0.167 (Depositor)
Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 37.238 | α = 90 |
| b = 41.09 | β = 96.35 |
| c = 93.477 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| HKL-2000 | data scaling |
| PHASER | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data reduction |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2017-03-29 Deposition Author(s): Liu, G.Z., Liu, W.D., Chen, C.C., Guo, R.T.
Revision History (Full details and data files)
- Version 1.0: 2017-03-29
Type: Initial release - Version 1.1: 2023-11-08
Changes: Data collection, Database references, Derived calculations, Refinement description
