Modulation of Isoalloxazine Ring Planarity Influences Fmn Electronic Properties in Old Yellow Enzymes
Elegheert, J., Pauwels, E., Wille, G., Brige, A., Savvides, S.N.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 |
SYE1 | 365 | Shewanella oneidensis MR-1 | Mutation(s): 1  EC: 1.6.99.1 | ||
UniProt | |||||
Find proteins for Q8EEC8 (Shewanella oneidensis (strain ATCC 700550 / JCM 31522 / CIP 106686 / LMG 19005 / NCIMB 14063 / MR-1)) Explore Q8EEC8  Go to UniProtKB:  Q8EEC8 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q8EEC8 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
FMN Query on FMN | B [auth A] | FLAVIN MONONUCLEOTIDE C17 H21 N4 O9 P FVTCRASFADXXNN-SCRDCRAPSA-N | |||
PE4 Query on PE4 | F [auth A] | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL C16 H34 O8 PJWQOENWHPEPKI-UHFFFAOYSA-N | |||
BOG Query on BOG | D [auth A] | octyl beta-D-glucopyranoside C14 H28 O6 HEGSGKPQLMEBJL-RKQHYHRCSA-N | |||
SO4 Query on SO4 | C [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L | |||
01F Query on 01F | E [auth A] | ethyl hydrogen carbonate C3 H6 O3 CQDGTJPVBWZJAZ-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 48.321 | α = 90 |
b = 83.749 | β = 90 |
c = 87.825 | γ = 90 |
Software Name | Purpose |
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SHELXL-97 | refinement |
DENZO | data reduction |
SCALEPACK | data scaling |
PHASER | phasing |