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Entry information

Complex
AACDB_ID: 5840
PDBID: 8B41
Chains: I_C
Organism: Mus musculus, synthetic construct
Method: EM
Resolution (Å): 3.80
Reference: 10.1038/s41594-022-00899-0
Antibody
Antibody: Sb1 VHH
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Volume-regulated anion channel subunit LRRC8A
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Chain: I
Mutation: NULL

>8B41_I|Chain G, H, I, J|Synthetic nanobody Sb1|Synthetic construct (32630)
GPSQVQLVESGGGLVQAGGSLRLSCAASGFPVGRHFMYWYRQAPGKEREWVAAIYSYGEYTEYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCYVYVGNEYWGQGTQVTVSA

Antigen

Chain: C
Mutation: NULL

>8B41_C|Chain A, B, C, D|Volume-regulated anion channel subunit LRRC8A|Mus musculus (10090)
MSIPVTELRYFADTQPAYRILKPWWDVFTDYISIVMLMIAVFGGTLQVTQDKMICLPCKWVTKDSCNDSFRGWAASSPEPTYPNSTVLPTPDTGPTGIKYDLDRHQYNYVDAVCYENRLHWFAKYFPYLVLLHTLIFLACSNFWFKFPRTSSKLEHFVSILLKCFDSPWTTRALSETVVEESDPKPAFSKMNGSMDKKSSTVSEDVEATVPMLQRTKSRIEQGIVDRSETGVLDKKEGEQAKALFEKVKKFRTHVEEGDIVYRLYMRQTIIKVIKFALIICYTVYYVHNIKFDVDCTVDIESLTGYRTYRCAHPLATLFKILASFYISLVIFYGLICMYTLWWMLRRSLKKYSFESIREESSYSDIPDVKNDFAFMLHLIDQYDPLYSKRFAVFLSEVSENKLRQLNLNNEWTLDKLRQRLTKNAQDKLELHLFMLSGIPDTVFDLVELEVLKLELIPDVTIPPSIAQLTGLKELWLYHTAAKIEAPALAFLRENLRALHIKFTDIKEIPLWIYSLKTLEELHLTGNLSAENNRYIVIDGLRELKRLKVLRLKSNLSKLPQVVTDVGVHLQKLSINNEGTKLIVLNSLKKMVNLTELELIRCDLERIPHSIFSLHNLQEIDLKDNNLKTIEEIISFQHLHRLTCLKLWYNHIAYIPIQIGNLTNLERLYLNRNKIEKIPTQLFYCRKLRYLDLSHNNLTFLPADIGLLQNLQNLAVTANRIEALPPELFQCRKLRALHLGNNVLQSLPSRVGELTNLTQIELRGNRLECLPVELGECPLLKRSGLVVEEDLFSTLPPEVKERLWRADKEQALEVLFQ

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)

I: HIS32 PHE33 TYR35 TYR37 GLU44 ARG45 TRP47 ALA50 TYR52 TYR54 TYR57 GLU59 TYR60 ASP62 LYS65 TYR97 TYR99 GLY101 ASN102 GLU103 TRP105

C: ARG605 ILE606 HIS608 PHE611 THR628 GLU630 GLU631 ILE633 SER634 GLN636 HIS637 HIS639 TYR653 ILE656 GLN657 ASN660 GLU675 LYS676 PRO678 THR679 GLN680 TYR683

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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