2024-11-23_00000174
|
medium
|
8W6E
De novo design of HBC599 binder;
X-ray diffraction 2.10Å
Protein #1
170 residues (95% resolved)
Raw Sequence ...
MDEERLKEILEELERIIEEVKRLLEKDERLLREFYRRNVTDKEEFRRVIKLDEEVMKRSEELLKRAEELLRELEELIRRIPFSEEIRRELEEILRRLKELYEEAKRLMEKAKELTKRIKKIDTTDEKTLREWYEIVRELLERAKEIIEEIERLLRRLLEILGLEHHHHHH
Canonical Sequence ...
MDEERLKEILEELERIIEEVKRLLEKDERLLREFYRRNVTDKEEFRRVIKLDEEVMKRSEELLKRAEELLRELEELIRRIPFSEEIRRELEEILRRLKELYEEAKRLMEKAKELTKRIKKIDTTDEKTLREWYEIVRELLERAKEIIEEIERLLRRLLEILGLEHHHHHH
Non polymer #2
KY6
InChI=1S/C21H17N3OS/c1-24(8-9-25)19-7-6-17-10-20(26-21(17)12-19)11-18(14-23)16-4-2-15(13-22)3-5-16/h2-7,10-12,25H,8-9H2,1H3/b18-11+
InChI=1S/C21H17N3OS/c1-24(8-9-25)19-7-6-17-10-20(26-21(17)12-19)11-18(14-23)16-4-2-15(13-22)3-5-16/h2-7,10-12,25H,8-9H2,1H3/b18-11+
SMILES: CN(CCO)c1ccc2cc(sc2c1)/C=C(C#N)/c3ccc(cc3)C#N
CN(CCO)c1ccc2cc(sc2c1)/C=C(C#N)/c3ccc(cc3)C#N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%