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 health problem

PANTS-9abd5a449c28

Human gut 315 aa · assembly ERZ4560750_FASTA_predicted_cds · contig ERZ4560750.62390-Hadza-MoBio-hadza-E-H-E-23-1730--NODE-62390-length-2236-cov-1.685966_2

Retrieval

E-value7.60e-08
Bitscore19.4
Identity to nearest0.295
Nearest characterisedEC:A0ABW1CC56

Structure

Methodesmfold
Mean pLDDT88.9
RMSD to IsPETase19.91 Å
Aligned fraction0.208

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

Active site

TriadS213/D261/H294
Ser–His2.91 Å
His–Asp3.11 Å
Cleft width19.45 Å
Cleft depth3.63 Å

Aromatic clamp: PHE117, PHE256, TRP165, TRP170, TRP220, TRP295, TRP297, TRP301, TYR175, TYR217

Structure, superposed on IsPETase

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

Sequence

MKRHFRSHHLFLSMISILLLLSLTSCAATNSESQSGHAKGNSSATDNNASTSSESTETSESTTETDDDNFSASPLYSKYQLTYTDTTGYSLPYCLYLPKKEAFPEDSEKTSYPLVLFLHGAGERGTDNELQNNDTGIVPRLTDETFYAAHPCILVVPQCPADAQWVNTPWTEGSYSIEETPISPALSAASKLLDNICAQYPADTSRLYITGVSMGGYGAWDLLLRHPDLFAGAIILCGAGDPSQAAAIAHIPLRLFHGAKDTEVPVSGSREMYQALLDAGANDVQYQEYPDIGHWIWLNAWDEPGLLDWLFSVSK