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-11071a4ce617

Marine plastisphere 445 aa · assembly ERZ21854033_FASTA_predicted_cds · contig ERZ21854033.19629-NODE-19629-length-1594-cov-2.133853_2

Retrieval

E-value3.10e-09
Bitscore24.0
Identity to nearest0.263
Nearest characterisedEC:A0ABW2CZA0

Structure

Methodesmfold
Mean pLDDT84.4
RMSD to IsPETase22.54 Å
Aligned fraction0.226

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

Active site

TriadS149/D240/H269
Ser–His3.12 Å
His–Asp2.96 Å
Cleft width20.88 Å
Cleft depth1.27 Å

Aromatic clamp: PHE104, PHE106, PHE121, PHE175, PHE184, PHE206, PHE212, PHE74, PHE78

Structure, superposed on IsPETase

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

Sequence

TNVTFRNILSPWRDEDDRGLACAGPRPQVETESDDQEDRDKMTTERVTFVGHAGTTLAARLDIPDGPHLATAVFAHCFTCSKDIPAARRIAGRLAAMGIAVLRFDFTGLGHSDGEFENTTFSSNVEDLTLAADYLAGRGMAPSLIIGHSLGGAAVLKAAGTIETIMAVVTIGAPFDPGHVTHNFGNALDRIATEGKAEVDLAGRPFTIGKDFVDDVSAASLKPSIGALHKALLVMHAPRDATVGVENATQIFLAAKHPKSFVTLDNADHLVSQPEDAEYAADVISAWAGRYLDLRPPAPPPGAPEGIVRVSEADPNGFLQDVNAGPFHHTVADEPLAYGGTNQGMSPYGFLSAGLGACTSMTIRMYARRKGWPLEHVSVDVSHDKVHAQDAETSKAVRIDSFRREIRLEGALDHAQRQRLLEIADKCPVHKTLETGAKVETILVD