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Entry information

Complex
AACDB_ID: 5280
PDBID: 7VAE
Chains: HL_A
Organism: Bos taurus, Mus musculus
Method: EM
Resolution (Å): 3.55
Reference: 10.1038/s41586-022-04845-4
Antibody
Antibody: YN69202 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: bovine sodium taurocholate co-transporting polypeptide (NTCP)
Antigen mutation: Yes
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7VAE_H|Chain B[auth H]|Fab heavy chain from antibody IgG clone number YN69202|Mus musculus (10090)
EVQLQQSGPELVKPGASVKMSCKASGYTFTSYIIHWVKQKPGQGLEWIGYINPYNDGTKYNEKFKGKGTLTSDKSSSTAYMELSSLTSEDSAVYYCARSYYDGIPHYFDYWGQGTTLTVSSAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPSGPISTINPCPPCKECHKCPAPNLEGGPS

Light Chain: L
Mutation: NULL

>7VAE_L|Chain C[auth L]|Fab light chain from antibody IgG clone number YN69202|Mus musculus (10090)
DIVMTQSPSSLAVSAGEKVTMSCKSSQSLFNSRTRRNYLAWYQQKPGQSPKLLIYWASTRESGVPDRFTGSGSGTDFTLTISSVQAEDLAVYYCKQSYYLLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: A
Mutation: Q261A

>7VAE_A|Chain A|Solute carrier family 10 (Sodium/bile acid cotransporter family), member 1|Bos taurus (9913)
MEAFNESSPFNFSLPHNFGKRPTDRALSVILVIMLLTIMLSLGCTMEFSKIKAHFWRPKGLAVALVAQFGIMPLTAFGLGKFFQLNNVEALAILICGCSPGGNLSNVFALAIKGDMNLSIVMTTCSTFFALGMMPLLLYLYSRGIYDGSLKDKVPYGGIMISLILILIPCTIGIILKSKRPQYVRYVTKGGIILLLLCSVAVVVLSAINVGKSILFVMTPHLLATSSLMPFIGFLLGYLLSALFCLNGRCKRTVSMETGCANIQLCSTILNVTFPPEVIGPLFFFPLLYMIFQVGEGLLLVAIFRCYEKFKTPRDDTKMTENLYFQGDYKDDDDKHHHHHHHH

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: THR28 THR30 SER31 TYR32 TYR50 ASN52 TYR54 ASN55 LYS59 TYR100 TYR101 ASP102 GLY103 ILE104 PRO105

L: ASN31 SER32 ARG33 THR34 ARG35 ARG36 TYR38 TYR98 TYR99 LEU100

A: PHE77 GLY80 LYS81 GLN84 LEU85 ASN86 ASN87 VAL88 ALA90 ARG143 GLY144 ILE145 TYR146 ASP147 GLY148 LYS153 ASN271 VAL272 THR273 PHE274 PRO275 PRO276 GLU277 VAL278

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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