Structure-guided design of the dopamine biocatalyst from DOPA dioxygenase
Yeh, Y.C., Hsu, C.H.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
4,5-DOPA dioxygenase extradiol | 275 | Mirabilis jalapa | Mutation(s): 0  Gene Names: DOD EC: 1.13.11.29 | ![]() | |
UniProt | |||||
Find proteins for B6F0W8 (Mirabilis jalapa) Explore B6F0W8  Go to UniProtKB:  B6F0W8 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | B6F0W8 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
CIT (Subject of Investigation/LOI) Query on CIT | D [auth A], EA [auth C], S [auth B] | CITRIC ACID C6 H8 O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N | |||
TRS Query on TRS | F [auth A], U [auth B] | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL C4 H12 N O3 LENZDBCJOHFCAS-UHFFFAOYSA-O | |||
PEG Query on PEG | Q [auth A], R [auth A] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N | |||
GOL Query on GOL | AA [auth B] BA [auth B] CA [auth B] DA [auth B] G [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N | |||
FE2 (Subject of Investigation/LOI) Query on FE2 | E [auth A], FA [auth C], T [auth B] | FE (II) ION Fe CWYNVVGOOAEACU-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
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a = 142.37 | α = 90 |
b = 142.37 | β = 90 |
c = 131.628 | γ = 90 |
Software Name | Purpose |
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PHENIX | refinement |
HKL-2000 | data reduction |
SCALEPACK | data scaling |
PHASER | phasing |
Funding Organization | Location | Grant Number |
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National Science Council (NSC, Taiwan) | Taiwan | 111-2113-M-002-015-MY3 |
National Science Council (NSC, Taiwan) | Taiwan | 111-2311-B-002-008-MY3 |