The Structural Bases of the Dual Coenzyme Specificity of Betaine Aldehyde Dehydrogenase from Pseudomonas Aeruginosa
Diaz-Sanchez, A.G., Gonzalez-Segura, L., Rodriguez-Sotres, R., Mujica-Jimenez, C., Munoz-Clares, R.A.To be published.
Experimental Data Snapshot
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
BETAINE ALDEHYDE DEHYDROGENASE | 489 | Pseudomonas aeruginosa | Mutation(s): 0 EC: 1.2.1.8 | ![]() | |
UniProt | |||||
Find proteins for Q9HTJ1 (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)) Explore Q9HTJ1 Go to UniProtKB: Q9HTJ1 | |||||
Entity Groups | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q9HTJ1 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
PE4 Query on PE4 | FA [auth C] GB [auth F] K [auth A] PB [auth G] QA [auth D] | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL C16 H34 O8 PJWQOENWHPEPKI-UHFFFAOYSA-N | |||
DTT Query on DTT | CA [auth C] EB [auth F] I [auth A] MB [auth G] NA [auth D] | 2,3-DIHYDROXY-1,4-DITHIOBUTANE C4 H10 O2 S2 VHJLVAABSRFDPM-IMJSIDKUSA-N | |||
GOL Query on GOL | AB [auth E] GA [auth C] HA [auth C] HB [auth F] IA [auth C] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N | |||
EDO Query on EDO | DA [auth C] EA [auth C] FB [auth F] J [auth A] NB [auth G] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N | |||
K Query on K | AA [auth B] AC [auth H] BA [auth B] BB [auth E] BC [auth H] | POTASSIUM ION K NPYPAHLBTDXSSS-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 332.32 | α = 90 |
b = 131.339 | β = 95.02 |
c = 100.815 | γ = 90 |
Software Name | Purpose |
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PHENIX | refinement |
XDS | data reduction |
SCALA | data scaling |
PHASER | phasing |