2024-12-14_00000473
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hard
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9HAC
De novo designed BBF-14 beta barrel with computationally designed BBF-14_b4 binder;
X-ray diffraction 3.10Å
Protein #1
122 residues (99% resolved)
Raw Sequence ...
MGTPLWALLGGPWRGTATYEDGTKVTLDYRYTRVSPDRLRADVTYTTPDGTTLEATVDLWKDANGVIRYHATYPDGTSADGTLTQLDADTLLATGTYDDGTKYTVTLTRVAPGSGWHHHHHH
Canonical Sequence ...
MGTPLWALLGGPWRGTATYEDGTKVTLDYRYTRVSPDRLRADVTYTTPDGTTLEATVDLWKDANGVIRYHATYPDGTSADGTLTQLDADTLLATGTYDDGTKYTVTLTRVAPGSGWHHHHHH
Protein #2
147 residues (86% resolved)
Raw Sequence ...
SPIQEEIQKKVRELLEKLIEYLEELKEKAKPPFKEKLEEVIEGLERLKEEVDKVQLNMNLIVFEGLEVDEEGRVWFIVKEMLHATTEEEALENMDKFLESWEKVFKELLEYHFEHNDTSPTFDFFLDFLWWQLYGEPMPKGSHHHHH
Canonical Sequence ...
SPIQEEIQKKVRELLEKLIEYLEELKEKAKPPFKEKLEEVIEGLERLKEEVDKVQLNMNLIVFEGLEVDEEGRVWFIVKEMLHATTEEEALENMDKFLESWEKVFKELLEYHFEHNDTSPTFDFFLDFLWWQLYGEPMPKGSHHHHH
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
K
InChI=1S/K/q+1
InChI=1S/K/q+1
SMILES: [K+]
[K+]
Non polymer #5
P6G
InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
SMILES: C(COCCOCCOCCOCCOCCO)O
C(COCCOCCOCCOCCOCCO)O
Non polymer #6
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
hetero-1-1-mer
Download coordinates
Biounit #2
hetero-1-1-mer
Download coordinates
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Model
Reference
100%