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Entry information

Complex
AACDB_ID: 2098
PDBID: 6CBV
Chains: HL_B
Organism: Homo sapiens, Escherichia coli
Method: XRD
Resolution (Å): 1.87
Reference: 10.1038/s41467-020-15363-0
Antibody
Antibody: 6CBV synthetic-Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: BRIL
Antigen mutation: Yes
Durg Target: P0ABE7

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6CBV_H|Chain A[auth H]|Heavy chain, Fab fragment|Homo sapiens (9606)
EISEVQLVESGGGLVQPGGSLRLSCAASGFNVVDFSLHWVRQAPGKGLEWVAYISSSSGSTSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARWGYWPGEPWWKAFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS

Light Chain: L
Mutation: NULL

>6CBV_L|Chain B[auth L]|Light Chain, Fab fragment|Homo sapiens (9606)
SDIQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQYLYYSLVTFGQGTKVEIKRTVAAPSVFIFPPSDSQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG

Antigen

Chain: B
Mutation: M7W/H102I/R106L

>6CBV_B|Chain C[auth B]|BRIL|Escherichia coli (562)
ADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYL

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 TRP105 PRO106 GLY107 TRP110 TRP111

L: ASP2 ILE3 GLN28 SER29 SER31 SER32 SER51 ARG67 LEU93 TYR94 SER96 LEU97

B: LYS27 ASP28 THR31 LYS32 ARG34 ALA35 LEU38 ASP39 GLN41 LYS42 ASP66 VAL69 GLY70 ASP73 LEU76 LYS77 ASN80

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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