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PETase ANnotation and Triage System

Nature's solution to a human-made problem, and structural learnings from Nature

PANTS-4a3466447bfc

Human gut 291 aa · assembly ERZ24772358_FASTA_predicted_cds · contig ERZ24772358.39277-NODE-39282-length-1239-cov-2.709459_2

Retrieval

E-value5.80e-16
Bitscore46.1
Identity to nearest0.264
Nearest characterisedEC:A0A852TYE9

Structure

Methodesmfold
Mean pLDDT89.4
RMSD to IsPETase8.36 Å
Aligned fraction0.189

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

Active site

TriadS131/D227/H259
Ser–His3.18 Å
His–Asp3.22 Å
Cleft width22.59 Å
Cleft depth3.27 Å

Aromatic clamp: PHE175, PHE232, PHE264, PHE265, TRP166, TRP56, TRP62, TYR135, TYR167, TYR177, TYR89, TYR97

Structure, superposed on IsPETase

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

Sequence

MKEVLKINVEKPQYVAITGITYAQVDSWYGHCRRDLKLDLIYPEDFSGKTYPCVVWICGGAWLRMDRSAHFAYLSKLAQSGFVVASVEYRTSNEGEYPMQIQDVKAAIRYLRAHADRYRIDAEYFGVTGESAGGYLTCMAALDEDVSLDVGDYLEQSSKVQAACPWYPPTDTSKFQYQEAEQCAASPESLLLGFNVMKNPEKGYENSPVSKVTKEAPPFLIIHGTNDRTVPFSQSESLYESLEKNGCDVTFLALEGADHADLQFFQDEVWERMISFFKEKLTRICRENIKS