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Entry information

Complex
AACDB_ID: 6393
PDBID: 8HS2
Chains: BC_R
Organism: Rattus, Escherichia coli, Homo sapiens
Method: EM
Resolution (Å): 3.08
Reference: 10.1038/s41421-023-00520-8
Antibody
Antibody: Ab046 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: G-protein coupled receptor 20 (GPR20)
Antigen mutation: Yes
Durg Target:

Sequence information

Antibody

Heavy Chain: B
Mutation: NULL

>8HS2_B|Chain A[auth B]|heavy chain of Fab046|Rattus (10114)
MEWNWVFLFLLSVTAEVHSQVQLQQSGAELAKPGSSVKISCKASGYTFTSYYISWIKQTTGQGLKYIGFINPGSGHTNYNEKFKGKATLTVDKSSSTAFMQLSSLTPDDSAIYYCARGAGGFLRIITKFDYWGQGVMVTVSSAQTTAPSVYPLAPGCGDTTSSTVTLGCLVKGYFPEPVTVTWNSGALSSDVHTFPAVLQSGLYTLTSSVTSSTWPSQTVTCNVAHPASSTKVDKKVGGSGHHHHHH

Light Chain: C
Mutation: NULL

>8HS2_C|Chain B[auth C]|Light chain of Fab046|Rattus (10114)
METDRLLLWVLLLWVPGSTGDTVLTQSPALAVSLGQRVTISCRASKSVSTYIHWYQQRSGQQPKLLIYSASNLESGVPSRFSGSGSGTDFTLTIDPVEPDDIANYYCQQINELPYTFGAGTKLELKRADAAPTVSIFPPSTERLATGGASVVCLMNNFYPRDISVKWKIDGTERRDGVLDSVTDQDSKDSTYSMSSTLSLTKADYESHNLYTCEVVHKTSSSPVVKSFNRNEC

Antigen

Chain: R
Mutation: L272W/D426N

>8HS2_R|Chain C[auth R]|Soluble cytochrome b562,G-protein coupled receptor 20|Escherichia coli (562)
MKTIIALSYIFCLVFADYKDDDDAGRAADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLMPSVSPAGPSAGAVPNATAVTTVRTNASGLEVPLFHLFARLDEELHGTFPGLWLALMAVHGAIFLAGLVLNGLALYVFCCRTRAKTPSVIYTINLVVTDLLVGLSLPTRFAVYYGARGCLRCAFPHVLGYFLNMHCSIWFLTCICVDRYLAIVRPEGSRRCRQPACARAVCAFVWLAAGAVTLSVLGVTGSRPCCRVFALTVLEFLLPLLVISVFTGRIMCALSRPGLLHQGRQRRVRAMQLLLTVLIIFLVCFTPFHARQVAVALWPDMPHHTSLVVYHVAVTLSSLNSCMNPIVYCFVTSGFQATVRGLFGQHGHHHHHHHHHH

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)

B: THR49 SER50 TYR52 ASN71 GLY73 SER74 GLY75 HIS76 ASN78 LYS93 GLY120 GLY121 PHE122 LEU123 ARG124 ILE125

C: ASN378 LEU380

R: HIS36 ALA39 ARG40 GLU43 GLU44 HIS46 GLY47 THR48 PRO50 LEU54 MET57 TYR113 TYR114 ARG117 GLY118 CYS119 LEU120

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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