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-8647e5670cbb

Compost 301 aa · assembly ERZ794971_FASTA_CDS_annotated · contig ERZ794971.431-NODE-431-length-40533-cov-9.649069_3

Retrieval

E-value4.90e-138
Bitscore446.8
Identity to nearest0.990
Nearest characterisedEC:A0A9P2WRG3

Structure

Methodesmfold
Mean pLDDT93.8
RMSD to IsPETase1.06 Å
Aligned fraction0.487

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

Active site

TriadS170/D216/H248
Ser–His2.97 Å
His–Asp2.87 Å
Cleft width17.17 Å
Cleft depth4.43 Å

Aromatic clamp: PHE228, PHE249, TRP195, TYR100

Structure, superposed on IsPETase

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

Sequence

MAVMTPRRERSSLLSRALRFTAAAATALVTAVSLAAPAHAANPYERGPNPTDALLEARSGPFSVSEERASRFGADGFGGGTIYYPRENNTYGAVAISPGYTGTQASVAWLGERIASHGFVVITIDTITTLDQPDSRARQLNAALDYMINDASSAVRSRIDSSRLAVMGHSMGGGGSLRLASQRPDLKAAIPLTPWHLNKNWSSVRVPTLIIGADLDTIAPVLTHARPFYNSLPTSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF