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-2a4c2788a77a

Marine plastisphere 364 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.3071-NODE-3071-length-5282-cov-3.699828_8

Retrieval

E-value1.40e-11
Bitscore31.7
Identity to nearest0.280
Nearest characterisedEC:A0ABV5TJR7

Structure

Methodesmfold
Mean pLDDT95.3
RMSD to IsPETase16.26 Å
Aligned fraction0.226

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

Active site

TriadS205/D293/H325
Ser–His3.15 Å
His–Asp3.1 Å
Cleft width17.38 Å
Cleft depth3.47 Å

Aromatic clamp: PHE155, PHE173, TRP255, TRP326, TYR206, TYR209, TYR254

Structure, superposed on IsPETase

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

Sequence

GVRYSGLKPDYDFLDEQLQTAYVNLAEAFPGATIYLDSWTDDRATVLYRVFDNSLGDVWLTQDTTTNQLSVFAQARPKIPVGQLGQLFAIEYPAADGLTIPAIVTTPPGQTLADITDAAVIVVPHGGPASHDRFDFDWMAQFFASRGYLVLQPNFRGSTGYGTEFRDAGIGEFGGKMLSDIDDGVAALIQDGRVDPERMCIVGASYGGYAALASATFYPERYRCVVAISPVSDLNSMLNRERRESGQNHWVIDYWEELMADGRATPQKLDEISPAKHADRVRAPVLLIHGDDDTVVSITQSRTMERALKRHDKTVEFVRLKGEDHWLSVAETRLQTLEAVDAFLKRHMPPPPLPPAPVETNEPS