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-21f383c6955e

Compost 315 aa · assembly ERZ794971_FASTA_CDS_annotated · contig ERZ794971.23891-NODE-23891-length-2270-cov-3.041986_2

Retrieval

E-value2.70e-141
Bitscore457.5
Identity to nearest0.681
Nearest characterisedEC:A0A7W3LQR6

Structure

Methodesmfold
Mean pLDDT91.6
RMSD to IsPETase3.50 Å
Aligned fraction0.460

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

Active site

TriadS165/D211/H243
Ser–His3.04 Å
His–Asp2.75 Å
Cleft width16.67 Å
Cleft depth4.58 Å

Aromatic clamp: PHE223, PHE244, PHE97, TRP190

Structure, superposed on IsPETase

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

Sequence

MSTSIARVRTRLAALVAGVVVAGSTVIGASPAGAQENPYERGPDPTESSIEAVRGPFTVAQTSVSRLAANGFGGGTIYYPTDTSQGTFGAVAISPGFTAGESSIAWLGPRIASQGFVVITIDTLTRLDQPDSRGRQLQAALDHLRTNSTVRNRIDPNRMAVMGHSMGGGGALSAAASNTDLEAAIPLQGWHTRKNWSSVRTPTLVIGAQLDSIAPVGSHSEAFYESLPSDLDKAYMELRGASHFVSNTPDTTTAKYSIAWLKRFVDDDLRYEQFLCPVPDDFAISEYRDTCPHSGSGGGTPAPPEDDCPWWAWWC