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-38f9606202dc

Compost 324 aa · assembly ERZ10545954_FASTA_predicted_cds · contig ERZ10545954.840-NODE-840-length-11231-cov-11.643522_6

Retrieval

E-value1.60e-12
Bitscore34.8
Identity to nearest0.340
Nearest characterisedEC:A0A7C9NKH2

Structure

Methodesmfold
Mean pLDDT85.6
RMSD to IsPETase20.53 Å
Aligned fraction0.242

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

Active site

TriadS219/D270/H300
Ser–His2.88 Å
His–Asp3.03 Å
Cleft width20.39 Å
Cleft depth3.18 Å

Aromatic clamp: PHE104, PHE132, PHE247, PHE279, PHE97, TYR126

Structure, superposed on IsPETase

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

Sequence

MNPAARPLAAVALIATLCLPFASSLAQAPAGPPQGGPPQQVLPPGIRGGSEVTPEKGVEIRKYVFKETGEELPYSVYVSSKVKKDQKAPLVIALRGFTGTTLTFVRGTAVDLAEEGGYILVGAIGYNNRAGFGVQAGPRPAAAPGAPGAPGAAPPAGPPGPGAGAPGGARPQPPLVGGTKETDPAKVTEYSEKDVMNVLELVRKEFNIDDRRIYLMGHSQGGGGARHLAEKYPDIWAGVALLAPALFNVEVTADSKITKVPLLLAVGDQDSLITSSRAFSEQLKGLKVTHEYIEKPGLDHGTIIMGAMPDVFAFFPKHVKPARR