########     ###    ##    ## ########  ######  
##     ##   ## ##   ###   ##    ##    ##    ## 
##     ##  ##   ##  ####  ##    ##    ##       
########  ##     ## ## ## ##    ##     ######  
##        ######### ##  ####    ##          ## 
##        ##     ## ##   ###    ##    ##    ## 
##        ##     ## ##    ##    ##     ######  

PETase ANnotation and Triage System

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

PANTS-65b45a1d7c7d

Human gut 211 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.201994-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-201994-length-885-cov-1.967822_1

Retrieval

E-value2.20e-12
Bitscore34.3
Identity to nearest0.342
Nearest characterisedEC:A0ABR9HP34

Structure

Methodesmfold
Mean pLDDT90.9
RMSD to IsPETase11.01 Å
Aligned fraction0.128

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

Active site

TriadS112/D159/H191
Ser–His2.96 Å
His–Asp3.07 Å
Cleft width19.81 Å
Cleft depth4.38 Å

Aromatic clamp: PHE37, PHE80, TRP119, TRP194, TRP81, TYR116, TYR154, TYR196, TYR198

Structure, superposed on IsPETase

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

Sequence

MQRERNIIINEECCTEFKYLLYKPNKDYKKKLPLIVFLHGAGERGNDLSLLKVHSIPNMFEGNVEYPCIVVSPQCKADSFWTAQIPQLKVFIDKIAEKYQIDENCIHLTGVSMGGYGTWDLAMAYPDMFASIVPICGGGMAWNAGVLKMPIRIYHGEADTVVNVRESIEMYESLKKTNDNVTLDIFPGVDHNAWDYAYNDELILWMLKQKK