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Entry information

Complex
AACDB_ID: 2952
PDBID: 6USF
Chains: HL_D
Organism: Homo sapiens, Escherichia coli
Method: EM
Resolution (Å): 3.87
Reference: 10.1038/s41467-020-15363-0
Antibody
Antibody: BAK5 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: chimera of soluble cytochrome b562 (BRIL) and neuronal acetylcholine receptor subunit alpha-4
Antigen mutation: No
Durg Target: P43681; P0ABE7;

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6USF_H|Chain F[auth H], H[auth K]|Fab heavy chain|Homo sapiens (9606)
EISEVQLVESGGGLVQPGGSLRLSCAASGFNVRSFSIHWVRQAPGKGLEWVAYISSSSGSTSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARWGYWPGEPWWKAFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS

Light Chain: L
Mutation: NULL

>6USF_L|Chain G[auth L], I[auth M]|Fab light chain|Homo sapiens (9606)
SDIQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQYLYYSLVTFGQGTKVEIKRTVAAPSVFIFPPSDSQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE

Antigen

Chain: D
Mutation: NULL

>6USF_D|Chain A, D|chimera of soluble cytochrome b562 (BRIL) and neuronal acetylcholine receptor subunit alpha-4|Homo sapiens (9606)
SSHVETRAHAEERLLKKLFSGYNKWSRPVANISDVVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPADYENVTSIRIPSELIWRPDIVLYNNADGDFAVTHLTKAHLFHDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFGSWTYDKAKIDLVNMHSRVDQLDFWESGEWVIVDAVGTYNTRKYECCAEIYPDITYAFVIRRLPLFYTINLIIPCLLISCLTVLVFYLPSECGEKITLCISVLLSLTVFLLLITEIIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPRTHTMPTWVRRVFLDIVPRLLLMKRPSVVDTDFADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYEDWKYVAMVIDRIFLWMFIIVCLLGTVGLFLPPWLAGMI

Interaction

1、Solvent accessible surface areas (SASA) were calculated (Naccess V2.1.1) for each residue in antibody and antigen, respectively. The residues with SASA loss in binding of more than 1Å2 were classified as interacting residues.

Interacting residues (ΔSASA based)

H: TYR53 SER58 SER60 SER62 LYS68 TRP105 PRO106 TRP110 TRP111

L: ILE3 GLN28 SER29 VAL30 SER31 SER32 ALA33 ARG67 LEU93 TYR94 TYR95 SER96 LEU97

D: ALA343 LYS369 ASP370 THR373 LYS374 ARG376 ALA377 LEU380 ASP381 GLN383 LYS384 ASP408 VAL411 GLY412 ASP415 LEU418 LYS419 ASN422

2、We defined interacting paratope-epitope residues by a distance cutoff of < 5Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 5 Å from any atom.

Interacting residues (Atom distance based)

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