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-780fbc037344

Compost 272 aa · assembly ERZ794970_FASTA_CDS_annotated · contig ERZ794970.4125-NODE-4125-length-5784-cov-84.720894_6

Retrieval

E-value4.00e-136
Bitscore440.5
Identity to nearest0.996
Nearest characterisedEC:A0ABY4KWB4

Structure

Methodesmfold
Mean pLDDT92.5
RMSD to IsPETase1.59 Å
Aligned fraction0.464

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

Active site

TriadS141/D187/H219
Ser–His2.95 Å
His–Asp2.91 Å
Cleft width19.71 Å
Cleft depth4.41 Å

Aromatic clamp: PHE199, PHE220, TRP166, TYR186, TYR71

Structure, superposed on IsPETase

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

Sequence

ATVALAAPAQAANPYERGPYPTESMLEARSGPFSVSEERASRFGADGFGGGTIYYPRENNTYGAIAISPGYTGTQSSIAWLGERIASHGFVVIAIDTNTTLDQPDSRARQLNAALDYMLTDASSAVRNRIDASRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKSWRDITVPTLIIGAEYDTIASVTLHSKPFYNSIPSSTDKAYLELDGASHFAPNITNKTIGMYSVAWLKRFVDEDTRYTQFLCPGPRTGLLSDVDEYRSTCPF