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-088de59db354

Compost 296 aa · assembly ERZ794971_FASTA_CDS_annotated · contig ERZ794971.10560-NODE-10560-length-4603-cov-9.986588_2

Retrieval

E-value7.70e-139
Bitscore449.4
Identity to nearest0.956
Nearest characterisedEC:A0ABY4KWB4

Structure

Methodesmfold
Mean pLDDT92.9
RMSD to IsPETase1.59 Å
Aligned fraction0.464

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

Active site

TriadS165/D211/H243
Ser–His2.97 Å
His–Asp2.8 Å
Cleft width19.86 Å
Cleft depth4.32 Å

Aromatic clamp: PHE223, PHE244, TRP190, TYR210, TYR95

Structure, superposed on IsPETase

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

Sequence

MSITTPRRGASLLSRAVAVAAAAAATVALAAPAQAANPYERGPYPTESMLEARSGPFSVSEERASRLGADGFGGGTIYYPRENNTYGAIAISPGYTGTQSSIAWLGERIASHGFVVIAIDTNTTLDQPDSRARQLNAALDYMLTDASSAVRNRIDASRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKSWRDITVPTLIIGAEYDTIASVTLHSKPFYNSIPSSTDKAYLELDGASHFAPNITNKTIGMYSVAWLKRFVDEDTRYTQFLCPGPRTGLLSDVDEYRSTCPF