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Entry information

Complex
AACDB_ID: 5811
PDBID: 7ZYI
Chains: HL_A
Organism: Homo sapiens, Mus musculus, Lama glama
Method: EM
Resolution (Å): 2.88
Reference: 10.1038/s41422-022-00680-4
Antibody
Antibody: 7ZYI Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Human sodium/bile acid cotransporter (NTCP)
Antigen mutation: No
Durg Target: Q14973

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7ZYI_H|Chain B[auth H]|heavy chain of Fab|Mus musculus (10090)
EISEVQLVESGGGLVQPGGSLRLSCAASGFNVSYSSIHWVRQAPGKGLEWVASISSSYGYTSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARYMKQQSQMWYQRYWGFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT

Light Chain: L
Mutation: NULL

>7ZYI_L|Chain C[auth L]|light chain of Fab|Mus musculus (10090)
SDIQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQSYWSPITFGQGTKVEIKRTVAAPSVFIFPPSDSQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>7ZYI_A|Chain A|Sodium/bile acid cotransporter|Homo sapiens (9606)
MEAHNASAPFNFTLPPNFGKRPTDLALSVILVFMLFFIMLSLGCTMEFSKIKAHLWKPKGLAIALVAQYGIMPLTAFVLGKVFRLKNIEALAILVCGCSPGGNLSNVFSLAMKGDMNLSIVMTTCSTFCALGMMPLLLYIYSRGIYDGDLKDKVPYKGIVISLVLVLIPCTIGIVLKSKRPQYMRYVIKGGMIIILLCSVAVTVLSAINVGKSIMFAMTPLLIATSSLMPFIGFLLGYVLSALFCLNGRCRRTVSMETGCQNVQLCSTILNVAFPPEVIGPLFFFPLLYMIFQLGEGLLLIAIFWCYEKFKTPKDKTKMIYTAATTEETIPGALGNGTYKGEDCSPCTA

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: SER33 HIS35 TYR54 GLY55 TYR56 THR57 SER58 TYR59 LYS64 TYR95 MET96 GLN98

L: SER0 ILE2 GLN27 SER28 SER30 SER91 TYR92 TRP93 SER94 PRO95

A: GLY19 LYS20 ARG21 LYS86 ASN87 ILE88 GLU89 GLY144 TYR146 ASP147 GLY148 LYS153 ASN209 LYS212 SER213 ILE214 MET215 PHE216 ALA217 THR219 ASN271 VAL272 ALA273 PHE274 PRO275 PRO276 GLU277 VAL278 ILE279 GLY280 PRO281 PHE283

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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