Marc C. Deller, D.Phil.
marcdeller.com eloratherapeutics.com marc@marcdeller.com GitHub DOI 10.5281/zenodo.21807353 
########     ###    ##    ## ########  ######  
##     ##   ## ##   ###   ##    ##    ##    ## 
##     ##  ##   ##  ####  ##    ##    ##       
########  ##     ## ## ## ##    ##     ######  
##        ######### ##  ####    ##          ## 
##        ##     ## ##   ###    ##    ##    ## 
##        ##     ## ##    ##    ##     ######

PETase ANnotation and Triage System

Nature's solution to a human-made problem, and structural learnings from Nature

PANTS-2c69a1dc5b75

Human gut 307 aa · assembly ERZ24772404_FASTA_predicted_cds · contig ERZ24772404.623-NODE-623-length-38464-cov-10.475852_40

Retrieval

E-value8.50e-15
Bitscore42.3
Identity to nearest0.324
Nearest characterisedPLC:A0A0M1P5R7

Structure

Methodesmfold
Mean pLDDT91.5
RMSD to IsPETase8.29 Å
Aligned fraction0.238

Aligned fraction is a length-normalised gemmi superposition statistic, not a true TM-score.

Active site

TriadS165/D227/H257
Ser–His3.09 Å
His–Asp2.66 Å
Cleft width19.53 Å
Cleft depth1.65 Å

Aromatic clamp: PHE197, PHE21, TRP17, TRP206, TYR208

Structure, superposed on IsPETase

Catalytic triad drawn as ball-and-stick from the measured residues.

Sequence

MEKIKKQLQIILYVWVWLLSFSVAAAAEAITDEYWITTADRGKIEQRYRSLGIYEVAKKTVSRKEEQYGNYTYRVWYPKQLETENRKWPMVFLLNGTTSTCDLDEPIFEHLASWGFIVVGNTDRNTGLGYSAEWGLELMDKLAADRKSVFFQKIDEENLGIGGHSQGGVGAVKTILFRKGGGRFKTVVTVSAVTESFADKLKMNSWKYDASAVNVPWFMVSGDRLDDRLITPLPDMEKIFQKAKTAMVMGRRSHADHSHVQAEADAYVTAWFRWQLAGDRYAGKAFLGKDAEILTNKGWNHTARKNL