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

PETase ANnotation and Triage System

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

PANTS-4fb566497b51

Human gut 302 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.193213-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-193213-length-1285-cov-4.379139_1

Retrieval

E-value1.90e-11
Bitscore31.2
Identity to nearest0.378
Nearest characterisedEC:A0ABT9QDD4

Structure

Methodesmfold
Mean pLDDT89.8
RMSD to IsPETase19.00 Å
Aligned fraction0.230

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

Active site

TriadS199/D249/H281
Ser–His2.89 Å
His–Asp3.15 Å
Cleft width17.19 Å
Cleft depth4.51 Å

Aromatic clamp: PHE140, PHE244, PHE282, TRP168, TRP206, TYR120, TYR289

Structure, superposed on IsPETase

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

Sequence

MRKFQILLLALLIVLSGCSGRSGPSPSGTETVPPVSETEVPQTESTAQTQLTEPETTAPETTAPSATFPEPEPTEATQPSVPEPATGLQQVTLTLSHGRTADCWLYVPEAPGANPGLIVYLHGGSGKGDDLNLITEAGGFPKYLQSGQLGALSSYVLIPQLPQSLKGWSDMDNGLMDMIRTVVRTYGIDTANISLTGHSMGGTGVWSIAAAHPGFFARIAPLSGSIRNTPENVQALKDTPVYAFVGTEDTIVKPESSIAFVDALTAAGGTAQIAEIEGADHFAVPECAYLGDYGLVEWLEGM