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-1d0f0568a672

Human gut 438 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.7374-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-7374-length-15050-cov-7.282108_12

Retrieval

E-value1.10e-11
Bitscore32.0
Identity to nearest0.290
Nearest characterisedEC:A0ABN3W1M5

Structure

Methodesmfold
Mean pLDDT78.7
RMSD to IsPETase21.23 Å
Aligned fraction0.253

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

Active site

TriadS299/D347/H380
Ser–His2.9 Å
His–Asp3.12 Å
Cleft width22.38 Å
Cleft depth2.45 Å

Aromatic clamp: PHE204, PHE208, PHE241, PHE303, PHE342, PHE384, TRP246, TRP28, TRP383, TYR217, TYR25, TYR261, TYR298, TYR306

Structure, superposed on IsPETase

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

Sequence

MILSAIFVAPSSAFAEETYDFTDNYDTWMQGIEKVGEWDIFPYHPEFGLSVVGRNNTKSENSLIYSFEGKKITAVSVDVVEHHIHFKKEDLVVSAYSNGAWQELSLTMSAEKEIDGAKVPNFKSVTATAVSVPDNTTKLKLQLNNSVAWTLFLDRLKVSGASEVDKAYNEQTLFFTNSSGTTLEYYLTVPAGYDGKETLPLVLFMHGFGGDTDRSGYEYFRDKVFKGNYNCILLAPIADRFKGQHWRDRDAMGDVGATAKYKQDDLTPTPALLAARDLLKKVKSTYNVDSSRIYALGYSMGGFGTYELATRYPELFSAIAPICGGCDPTKASVIKDLPIWSFHGTNDAVVNIDANRAMYKNLQSLGSENAHYTEYDGLDHGIWFKAMDDVTDWLFKQSKNTDFSENTAYKFDSLTDWSISSDHTENLQIIINEPNIKD