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-ea2b4dde3988

Human gut 319 aa · assembly ERZ4560321_FASTA_predicted_cds · contig ERZ4560321.50682-Hadza-MoBio-hadza-E-H-G-21-1740--NODE-50682-length-2744-cov-2.286089_2

Retrieval

E-value2.90e-10
Bitscore27.4
Identity to nearest0.311
Nearest characterisedEC:A0A9Y2YA38

Structure

Methodesmfold
Mean pLDDT86.4
RMSD to IsPETase19.30 Å
Aligned fraction0.200

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

Active site

TriadS215/D265/H297
Ser–His2.93 Å
His–Asp3.09 Å
Cleft width17.48 Å
Cleft depth4.4 Å

Aromatic clamp: PHE156, PHE260, PHE298, TRP184, TRP222, TYR136

Structure, superposed on IsPETase

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

Sequence

MKSKINSLIAVLVTVLLAVIPLGACRSRTNENVSKTNSTDSLCIASSDTEETADKQTSTANSENTAVSGKTIHSVASSEQNQPSESAVPAQKNETPKSESPSSFKPCSIATSQLGVFRYWLYTPLNPTENMPLIVYLHGGSGKGDDLNTITSADSFPQYLQSGQLGDVRAYVIIPQLPGTKQGWADAAEAVSDLISSAIATYQINRNNISLTGHSMGGTGTWSLACTYPDLFARIAPLSGSIRLNQDTVGKLKNIPIKAFVGSADKIIPPESSEKAVAALKAAGGNADITVFDGADHFSVPGLAFLDKSINLVGWLIGG