2025-05-10_00000392|hard|9R2V

De novo designed M16 protein fold; X-ray diffraction 2.49Å

Protein #1 164 residues (93% resolved)

Raw Sequence ...

MSESKKLIEEAKKEFDKQLAEGKKEIDIEIEYPKKKYDENYKEALEFIKLNSELRVEYVKKSREAGVEKLTIKTKVKLEPTENSDHKLDYEYEEEMSKKALEKTDEKEYKEKLEKEYKKIEETVESNKDYEYEEEYEDKETGYKYKKKVEIKGGSGGSHHHHHH

Canonical Sequence ...

MSESKKLIEEAKKEFDKQLAEGKKEIDIEIEYPKKKYDENYKEALEFIKLNSELRVEYVKKSREAGVEKLTIKTKVKLEPTENSDHKLDYEYEEEMSKKALEKTDEKEYKEKLEKEYKKIEETVESNKDYEYEEEYEDKETGYKYKKKVEIKGGSGGSHHHHHH

Non polymer #2 CA

InChI=1S/Ca/q+2

SMILES: [Ca+2]

[Ca+2]

Non polymer #3 FMT

InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)

SMILES: C(=O)O

C(=O)O

Non polymer #4 TRS

InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1

SMILES: C(C(CO)(CO)[NH3+])O

C(C(CO)(CO)[NH3+])O

Reference