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-2d72f42e42e9

Human gut 298 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.29610-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-29610-length-5536-cov-262.677780_3

Retrieval

E-value2.20e-10
Bitscore27.7
Identity to nearest0.303
Nearest characterisedEC:A0A9Y2YA38

Structure

Methodesmfold
Mean pLDDT88.0
RMSD to IsPETase20.51 Å
Aligned fraction0.174

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

Active site

TriadS194/D244/H276
Ser–His2.9 Å
His–Asp3.13 Å
Cleft width17.5 Å
Cleft depth3.5 Å

Aromatic clamp: PHE135, PHE239, PHE277, TRP163, TRP201, TYR115

Structure, superposed on IsPETase

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

Sequence

MKQRFYASIALLLVAVLTAALLCGCHSKPENSSDETSSVGSVPTTESDSNSMPAITPDESSGDTTPNGTNGSVAGKEHTPASFTACSINTSQLGTFRYWLYTPSDPTENMPLIVYLHGGSGKGDDLNLITAVDGFPQYLQSGQLGDVRAYVVIPQLPSTQKGWVNAAESISELIDHTVSTYKINRNNISLTGHSMGGTGTWNLACTYPSLFARIAPLSGSIRNTPDIIDNLKNIPVRAFVGSADTIVPPDSSKEVIAALKAAGGSAEITVFDGADHFSVPSLAFLDTNIDLIGWLIGG