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-dca92ff03a16

Human gut 315 aa · assembly ERZ4560756_FASTA_predicted_cds · contig ERZ4560756.25880-Hadza-MoBio-hadza-E-H-G-1-1731--NODE-25880-length-4506-cov-2.257620_5

Retrieval

E-value5.30e-08
Bitscore19.9
Identity to nearest0.295
Nearest characterisedEC:A0ABW1CC56

Structure

Methodesmfold
Mean pLDDT88.7
RMSD to IsPETase20.42 Å
Aligned fraction0.200

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

Active site

TriadS213/D261/H294
Ser–His2.92 Å
His–Asp3.11 Å
Cleft width19.46 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

MKRHFRSHHLFLSMISILLLLSLTSCAATNSESQSGHAKGNSSATDNNASTSSESTETSESTTETDDGNFSASPLYSKYQLTYTDTTGYSLPYCLYLPKKEAFPEDSEKTSYPLVLFLHGAGERGTDNELQNNDTGIVPRLTDETFYAAHPCILVVPQCPADAQWVNTPWTEGSYSIEETPISPALSAASKLLDDICAQYPADTSRLYITGVSMGGYGAWDLLLRHPDLFAGAIILCGAGDPSQAAAIAHIPLRLFHGAKDTEVPVSGSREMYQALLDAGANDVQYQEYPDIGHWIWLNAWDEPGLLDWLFSVSK