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 health problem

PANTS-6c458f78f2a5

Human gut 282 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.29277-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-29277-length-5589-cov-3.294448_6

Retrieval

E-value5.40e-08
Bitscore19.9
Identity to nearest0.254
Nearest characterisedEC:A0ABV5TJR7

Structure

Methodesmfold
Mean pLDDT91.6
RMSD to IsPETase13.45 Å
Aligned fraction0.200

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

Active site

TriadS134/D182/H217
Ser–His2.96 Å
His–Asp3.14 Å
Cleft width17.04 Å
Cleft depth3.94 Å

Aromatic clamp: PHE131, TRP103, TRP141, TRP215, TYR225, TYR55

Structure, superposed on IsPETase

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

Sequence

MMKQIVLVLMCLLSLGATAQTERTFSKEQLPLGDGLVLSYRQMRIEGEKPMLVIYLHGGSSCGTDNETQMGEPGIDSIARYLVQQAMPAVFVVPQCSNRTKGWGGMASDVKRLLDYVVQQEAADTARIYIFGGSMGGTGTWKMLSLYPCYFAAAMPCAGNPKGMSAENVATTPVYTVMGLADKIMGSDVRTTLETFITQLESLGDEVRYETVAGWTHEMTCIQSYSAVRLGWVFSHKRGQTTGLTISPINATDEGWYDLSGRRFAAPLSHGVYIHKGKKVVF