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-cddf707b24ff

Human gut 327 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.30358-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-30358-length-5422-cov-3.578672_2

Retrieval

E-value3.30e-09
Bitscore23.9
Identity to nearest0.310
Nearest characterisedEC:A0A7W3N2I8

Structure

Methodesmfold
Mean pLDDT82.5
RMSD to IsPETase18.84 Å
Aligned fraction0.158

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

Active site

TriadS225/D275/H307
Ser–His2.84 Å
His–Asp3.18 Å
Cleft width24.03 Å
Cleft depth4.01 Å

Aromatic clamp: PHE184, PHE270, PHE308, TRP194, TRP232, TYR143, TYR30, TYR305, TYR314

Structure, superposed on IsPETase

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

Sequence

MRYVQDAFANYERRFNERHFLGYKWCQPLYEWEISAFKQKHNFLWHVFNPVLPYVQGFKEDFYMKMRKLTEACFLPLLLLCSCANAGNSSIGNTESENIKSTSDNVSPSSFDALALTLESGQKFNYYLYTPENAIEDMPLILYLHGGSGKPTSAEGDLNLLTNEDGLPKFVKENKVSPNSYIVFPQLPYGKRGWSDVGNDLFSFLNEVSAELKCNKGRISITGHSMGGKGTWDIALSNPNAFYKIAPLSGNVTLNDANLNKLKDKPVWAFVGTDDTIVDPQSSIDFIHSLSKMNDEAKITIIEGYTHFDVPNVYLSSDYHLLSWLVD