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Entry information

Complex
AACDB_ID: 1963
PDBID: 5XJM
Chains: HL_A
Organism: Homo sapiens, Escherichia coli, Mus musculus
Method: XRD
Resolution (Å): 3.20
Reference: 10.1038/s41594-018-0079-8
Antibody
Antibody: 4A03 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Type-2 angiotensin II receptor
Antigen mutation: Yes
Durg Target: P50052; P50052; P0ABE7;

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>5XJM_H|Chain B[auth H]|FabH|Mus musculus (10090)
DVQLVESGGGLVQPGGSRKLSCAASGFTFSGFGMHWVRQAPEKGLEWVAYISSGSSLIYYADTVKGRFTISRDNPKNTLFLQMTSLRSEDTAMYFCATSLYYGTPWFAYWGQGTLVTVSAAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPS

Light Chain: L
Mutation: NULL

>5XJM_L|Chain C[auth L]|FabL|Mus musculus (10090)
DIVLTQSPAIMSASPGEKVTMTCSASSSVTYMYWYQQKPGSSPRLLIYDTSNLASGVPVRFSGSGSGTSYSLTISRMEAEDAATFYCQQWSSYPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNE

Antigen

Chain: A
Mutation: M216W/H311I/R315L

>5XJM_A|Chain A|Type-2 angiotensin II receptor,Soluble cytochrome b562,Type-2 angiotensin II receptor|Homo sapiens (9606)
GCSQKPSDKHLDAIPILYYIIFVIGFLVNIVVVTLFCCQKGPKKVSSIYIFNLAVADLLLLATLPLWATYYSYRYDWLFGPVMCKVFGSFLTLNMFASIFFITCMSVDRYQSVIYPFLSQRRNPWQASYIVPLVWCMACLSSLPTFYFRDVRTIEYLGVNACIMAFPPEKYAQWSAGIALMKNILGFIIPLIFIATCYFGIRKHLLKTNADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLKNRITRDQVLKMAAAVVLAFIICWLPFHVLTFLDALAWMGVINSCEVIAVIDLALPFAILLGFTNSCVNPFLYCFVGNRFQQKLRSVFRVPITWLQGKRESENLYFQ

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 SER30 GLY31 PHE32 TYR50 SER52 SER53 GLY54 SER56 LEU57 TYR59 ASN74 SER99 LEU100 TYR101 TYR102 GLY103 THR104 PRO105 TRP106 ALA108

L: TYR31 TYR33 LEU45 TYR48 ASP49 ASN52 TRP90 SER92 TYR93

A: SER36 GLN37 LYS38 PRO39 ASP41 LYS42 HIS43 LEU44 ASP45 SER105 TYR106 ARG107 TYR108 ASP109 TRP110 LEU111 THR186 GLU188 TYR189 LEU190 GLY191 VAL192 ASN193

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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