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-b0a23fb0fab1

Marine plastisphere 309 aa · assembly ERZ21854033_FASTA_predicted_cds · contig ERZ21854033.2532-NODE-2532-length-4647-cov-4.456228_1

Retrieval

E-value3.60e-07
Bitscore17.2
Identity to nearest0.238
Nearest characterisedEC:A0A7W3LQW1

Structure

Methodesmfold
Mean pLDDT93.8
RMSD to IsPETase19.96 Å
Aligned fraction0.174

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

Active site

TriadS182/D254/H283
Ser–His3.1 Å
His–Asp3.11 Å
Cleft width23.64 Å
Cleft depth2.15 Å

Aromatic clamp: PHE107, PHE207, PHE233, PHE248, TYR106, TYR117, TYR119, TYR138, TYR141, TYR155, TYR179, TYR287, TYR40

Structure, superposed on IsPETase

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

Sequence

MLVSELLKGKRFVVAVIAMLLTAYLSTCLFLRMRQRNLIYRPAEELSLQPDDSAFNLPYEDVWIPVSGSSERLHGWWIPAPAERENFIVLPNEPSDILASPKVMLYFCGVGRNMGDYNYLARVSAFRQLGFSVLVFDYRGYGLSDGGFPSEQQAYQDSQAAWRYLQDVRQIPPEQIMIYGESLGGAIALNLAIQHPEASGLILQSTFTSMTAAIRHRKLMKLFPVDWLLTERFNSLDNVRSLRVPVLFLHGSEDSVVPAHMSQQLYDAAPAPKQLFLISGADHVRIYQPGPQSYLKAIEKFIEQTQSPH