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

PETase ANnotation and Triage System

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

PANTS-c5bc74f826bb

Human gut 286 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.39247-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-39247-length-4348-cov-394.221494_3

Retrieval

E-value6.10e-11
Bitscore29.6
Identity to nearest0.302
Nearest characterisedEC:A0ABP8UBC5

Structure

Methodesmfold
Mean pLDDT83.3
RMSD to IsPETase17.94 Å
Aligned fraction0.196

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

Active site

TriadS170/D220/H252
Ser–His2.96 Å
His–Asp3.15 Å
Cleft width19.16 Å
Cleft depth4.39 Å

Aromatic clamp: PHE111, PHE215, PHE253, TRP139, TRP177, TYR227, TYR91

Structure, superposed on IsPETase

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

Sequence

MKSKWIRAGAAVLLMAGLLGTGYIESHKERALNTIDASAIATTLSAELGSENEEVPAQLLMCSTSTSQIETFRYWLYTPKNPVENMPLIVYLHGSSGKGDDLNILMNEDGFPQYLKNSQLGDVPAYILIPQLPAEKRGWASVSQSVYQLISETVSTYQIDSDNISLTGHSMGGTGTWNLAAQYPQMFARIAPLSGSARGQAAKLEVLKDIPVWAFVGSDDTVILPEYSENAVSELNALGGNAQITIFEGADHFAVPSQTYLDPSISLVNWLIGNDAEKENDNETVL