2024-09-28_00000189|medium|9AXN

Crystal Structure of Anti-Fentanyl Antibody HY11-6B2_Mu Fab in Complex with Fentanyl; X-ray diffraction 2.40Å

Protein #1 228 residues (93% resolved)

Raw Sequence ...

(PCA)VRLQQSGPELVKPGASVRISCKASGHTFTSYYIYWVKQRPGQGLEWIGWIYFGNINLKYNEKFKGKATLTADKSSSTAYIQLSSLTSEDSAVYFCASEDGPGAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHHHHHH

Canonical Sequence ...

QVRLQQSGPELVKPGASVRISCKASGHTFTSYYIYWVKQRPGQGLEWIGWIYFGNINLKYNEKFKGKATLTADKSSSTAYIQLSSLTSEDSAVYFCASEDGPGAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHHHHHH

Protein #2 214 residues (100% resolved)

Raw Sequence ...

DIVMTQSQKFMSTSVGDRVSVTCKASQNVGTNVAWYQQKPGQSPKALIYSASYRYSGVPDRFTGSGSGTDFTLTISNVQSEDLAEYFCQQYNSYPLTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Canonical Sequence ...

Non polymer #3 7V7

InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3

SMILES: CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3

CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3

Non polymer #4 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

SMILES: C(CO)O

C(CO)O

Non polymer #5 NI

InChI=1S/Ni/q+2

SMILES: [Ni+2]

[Ni+2]

Reference