2024-06-29_00000074
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medium
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8QAG
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 6 inner helices, sc-CC-6-95;
X-ray diffraction 2.80Å
Protein #1
315 residues (97% resolved)
Raw Sequence ...
GSHMGIAEALKLIAEALEVIAKALLAIALGDKELAKEALKEAEEVKKKAEKLKKEAEKKGDRIAAALALIAIALAVIALALVAIALGDKELAKKAKEEALKVLKEAEKGYKEAKKQGDEIAAALYLIAIALAAIALALVAIALGDEELAKKAKELAEKVKEEAEKRYKEAEKQGDEIAKALYLIAIALAAIALALVAIALKDEKLAKEALKLALEVKKKSEEEYEEAKKQGNEIAKALYLIAIALAAIALALVAIALKDEELAEEAKEEAEKVKEEAEKQAKEAKEQGNEIAKSLYKIAISLAEIALSLAEIAKS
Canonical Sequence ...
GSHMGIAEALKLIAEALEVIAKALLAIALGDKELAKEALKEAEEVKKKAEKLKKEAEKKGDRIAAALALIAIALAVIALALVAIALGDKELAKKAKEEALKVLKEAEKGYKEAKKQGDEIAAALYLIAIALAAIALALVAIALGDEELAKKAKELAEKVKEEAEKRYKEAEKQGDEIAKALYLIAIALAAIALALVAIALKDEKLAKEALKLALEVKKKSEEEYEEAKKQGNEIAKALYLIAIALAAIALALVAIALKDEELAEEAKEEAEKVKEEAEKQAKEAKEQGNEIAKSLYKIAISLAEIALSLAEIAKS
Non polymer #2
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Non polymer #3
PG4
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
SMILES: C(COCCOCCOCCO)O
C(COCCOCCOCCO)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
100%