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-e62652375433

Human gut 170 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.396818-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-396818-length-638-cov-1.319073_1

Retrieval

E-value3.00e-08
Bitscore20.7
Identity to nearest0.267
Nearest characterisedEC:A0A239F952

Structure

Methodesmfold
Mean pLDDT84.9
RMSD to IsPETase12.90 Å
Aligned fraction0.109

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

Active site

TriadS28/D76/H109
Ser–His2.94 Å
His–Asp3.12 Å
Cleft width16.14 Å
Cleft depth7.2 Å

Aromatic clamp: PHE116, PHE32, PHE71, TRP112, TRP35, TYR104

Structure, superposed on IsPETase

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

Sequence

LKAVTKLIDECCREYNVDRDRIYIMGISMGGFGTWDMIMRHGERFACAMPVCGGGDPSYANKLKNIPIRTFHGSRDESVPVASTREMFAAIAKAGGKNISYTEYDDRGHCVWDEVFPDTDNFRWMFEQNLAERRKKYEKVKKAKRFAIASGAVGALVSIAAFVLSKKGKK