########     ###    ##    ## ########  ######  
##     ##   ## ##   ###   ##    ##    ##    ## 
##     ##  ##   ##  ####  ##    ##    ##       
########  ##     ## ## ## ##    ##     ######  
##        ######### ##  ####    ##          ## 
##        ##     ## ##   ###    ##    ##    ## 
##        ##     ## ##    ##    ##     ######  

PETase ANnotation and Triage System

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

PANTS-03faca12a583

Human gut 244 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.166020-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-166020-length-1496-cov-40.042283_2

Retrieval

E-value5.90e-11
Bitscore29.6
Identity to nearest0.275
Nearest characterisedEC:A0A5S4FJI0

Structure

Methodesmfold
Mean pLDDT91.7
RMSD to IsPETase18.36 Å
Aligned fraction0.185

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

Active site

TriadS140/D190/H222
Ser–His2.89 Å
His–Asp3.22 Å
Cleft width17.34 Å
Cleft depth4.61 Å

Aromatic clamp: PHE223, TRP111, TRP147, TYR229, TYR64

Structure, superposed on IsPETase

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

Sequence

MELTRRGFLSLTAASAFCLLCTGCGDAAAVSPAGALTAHTGDAGLSYWLYTPQSTGTPKTLVLYLHGGSGKGSDLNAVLEAESLPRFLQEGQLAPDAYVVMPQLPANCKGWSDCTAQLMQLLAVIKAQYPIARTALTGHSMGGTGCWDLAVAYPETFCAAAPLSGSVRLTEQNLTALQSLPVWVVVGSADTIVKPDASEQFIAALKEKNPNAQLTVREGATHFDVPQAYLDSTLGLLDWLTAAR