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 health problem

PANTS-b28982189bc0

Human gut 279 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.29344-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-29344-length-5578-cov-117.732594_3

Retrieval

E-value2.80e-07
Bitscore17.6
Identity to nearest0.242
Nearest characterisedEC:A0A8J3U475

Structure

Methodesmfold
Mean pLDDT83.9
RMSD to IsPETase11.86 Å
Aligned fraction0.189

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

Active site

TriadS128/D176/H210
Ser–His3.08 Å
His–Asp2.87 Å
Cleft width14.97 Å
Cleft depth4.36 Å

Aromatic clamp: PHE217, PHE56, TRP99, TYR132, TYR73

Structure, superposed on IsPETase

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

Sequence

MKKIFLFILFCLSVCSMSAYDFLRAVKDEIPGGYNFWVYTPVDYFYSQEQTPVIIFLHGASLCGKNLNKVRRYGPLDAIVKGRDIDALTIVPQNPGGAWNPKKIMDMLDWVKKNYPCDSNRVYVLGMSLGGYGTMDVCATYPDRIAAGMALCGGCSYKDVSGLGDLPFWIIHGTADRAVPVKQSKVVVDKLVKDGKDTRLIYDWWKGANHGTPARVFYLKKTYQWLFSHSLLDKDRSVNRNISITMSDLGRAYGDVNRNAPQPELIEGPSVIKQEGNEY