Marc C. Deller, D.Phil.
marcdeller.com eloratherapeutics.com marc@marcdeller.com GitHub DOI 10.5281/zenodo.21807353 
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PETase ANnotation and Triage System

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

PANTS-5f4d81a0d013

Human gut 260 aa · assembly ERZ24772238_FASTA_predicted_cds · contig ERZ24772238.15916-NODE-15917-length-2564-cov-6.216421_2

Retrieval

E-value6.40e-10
Bitscore26.2
Identity to nearest0.340
Nearest characterisedEC:A0A7Y9GI10

Structure

Methodesmfold
Mean pLDDT91.2
RMSD to IsPETase15.24 Å
Aligned fraction0.185

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

Active site

TriadS158/D206/H238
Ser–His2.97 Å
His–Asp3.11 Å
Cleft width25.88 Å
Cleft depth3.53 Å

Aromatic clamp: PHE116, PHE117, PHE201, PHE233, PHE245, PHE61, TRP107, TRP241, TYR106, TYR109, TYR165

Structure, superposed on IsPETase

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

Sequence

MRKIFSFYLLCLLLCLLTVSSWAQENYQKKEFVSSFGDSLSYRLLRPENEQAGSKYPLVLFLHGAGERGSDNEKQLTHGAQMFLNPVNREKYPAFVLIPQCPADAYWAYTSRPVSFFPAEMPVAQDISPIFKSLKELLDVYLALPQVDKNRIYIIGLSMGGMGTYDMTIRFPEVFAAAIPICGTVHPIRLANAKGVRFRIFHGDADNVVAVEGSRMAYKALKATGADVEYIEFPGCGHDSWTPAFNYPGFMDWLFSQKKK