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-023904e83efa

Marine plastisphere 411 aa · assembly ERZ21854033_FASTA_predicted_cds · contig ERZ21854033.64-NODE-64-length-22354-cov-6.893134_14

Retrieval

E-value9.40e-11
Bitscore29.0
Identity to nearest0.262
Nearest characterisedEC:A0A5S4H3R9

Structure

Methodesmfold
Mean pLDDT88.5
RMSD to IsPETase26.36 Å
Aligned fraction0.230

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

Active site

TriadS107/D198/H227
Ser–His3.11 Å
His–Asp2.91 Å
Cleft width20.99 Å
Cleft depth1.93 Å

Aromatic clamp: PHE133, PHE142, PHE164, PHE170, PHE32, PHE36, PHE62, PHE64, PHE74, PHE79

Structure, superposed on IsPETase

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

Sequence

MPTERITFPGHAGTLAARLDLPDGPLLATAVFAHCFTCGKDIPAARRIAARLTTMGMAVLRFDFTGLGHSEGEFANTSFTSNVEDLERAVAYLNDRGMPPTLMIGHSLGGAAVLKATSNLEQIKAVATLGAPFDPGHVTHNFADALPAIEADGNAEVTLGGRPFRIGKGFVDDVMAEQLQPAIAHLKAALLVLHAPRDSVVSIDNASEIFRAAKHPKSFVTLDDADHLVTNADHAEYAADIIAAWAKKYITLKPPAPPIGAPEGIVRSAEADPNGFLQDITHGTRHHILADEPRAYGGTNMGLSPYGLLSAGLAACTSMTIRMYVRRKGWQLEHVHVDVSHNKVHAQDANTATGDQIDEWIRRITLTGPLDADQRQRLLEIADKCPVHRTLEQTSHVITELAPPTRAPETA