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Entry information

Complex
AACDB_ID: 947
PDBID: 4RGO
Chains: HL_S
Organism: Staphylococcus aureus, Mus musculus
Method: XRD
Resolution (Å): 1.80
Reference: 10.1074/jbc.M114.630715
Antibody
Antibody: 14G8 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Staphylococcal Enterotoxin type B
Antigen mutation: No
Durg Target: P01552

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>4RGO_H|Chain B[auth H]|14G8 heavy chain|Mus musculus (10090)
EVNLIESGGDLVKPGGSLKLSCATSGFTFSAYGLSWVRQTPERRLEWVASISGGGSVYYPDSVKGRFTISRDTAGDILFLQMNSLRSEDSAIYYCVRDLYGDYVGRYAYWGQGTLVIVSAAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDC

Light Chain: L
Mutation: NULL

>4RGO_L|Chain C[auth L]|14G8 light chain|Mus musculus (10090)
DIVMTQSPATLSVTPGDRVSLSCRASQSIGDYLHWYQQKSHESPRLLINYASQSISGIPSRFSGSGSGSDFTLIINSVEPEDVGVYYCQNGHSFPYTFGGGTKLEIRRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: S
Mutation: NULL

>4RGO_S|Chain A[auth S]|Enterotoxin type B|Staphylococcus aureus (1280)
GSEFGSESQPDPKPDELHKSSKFTGLMENMKVLYDDNHVSAINVKSIDQFLYFDLIYSIKDTKLGNYDNVRVEFKNKDLADKYKDKYVDVFGANYYYQCYFSKKTNDINSHQTDKRKTCMYGGVTEHNGNQLDKYRSITVRVFEDGKNLLSFDVQTNKKKVTAQELDYLTRHYLVKNKKLYEFNNSPYETGYIKFIENENSFWYDMMPAPGDKFDQSKYLMMYNDNKMVDSKDVKIEVYLTTKKK

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 ALA31 TYR32 SER52 GLY54 GLY55 SER56 TYR58 THR73 TYR100 GLY101 ASP102 TYR103 VAL104 ARG106

L: ASP31 TYR32 TYR50 GLN53 SER56 GLY91 HIS92 PHE94 TYR96

S: ASP5 PRO6 LYS7 PRO8 ARG135 PHE137 ASP139 GLY140 LYS141 ASN142 SER145 TYR186 LYS188 ILE190 ASN192 GLU193 LYS229 GLU231 TYR233 LEU234 THR235 LYS238

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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