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-3d53535c3f75

Compost 301 aa · assembly ERZ794970_FASTA_CDS_annotated · contig ERZ794970.2-NODE-2-length-287672-cov-39.740346_166

Retrieval

E-value1.60e-140
Bitscore455.0
Identity to nearest0.960
Nearest characterisedTfCut2

Structure

Methodesmfold
Mean pLDDT94.2
RMSD to IsPETase1.09 Å
Aligned fraction0.498

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

Active site

TriadS170/D216/H248
Ser–His2.97 Å
His–Asp2.88 Å
Cleft width17.22 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

MAVMTPRRERSSLLSRALRFTAAAATALVTAVSLAAPAHAANPYERGPNPTDALLEARSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTQASVAWLGKRIASHGFVVITIDTITTLDQPDSRARQLNAALDYMINDASSAVRSRIDSSRLAVMGHSMGGGGSLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF