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Entry information

Complex
AACDB_ID: 3113
PDBID: 6WEQ
Chains: IJ_C
Organism: dengue virus type 1, Mus musculus
Method: XRD
Resolution (Å): 3.20
Reference: 10.1126/science.abc0476
Antibody
Antibody: 2B7 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: DENV2 Non-structural protein 1
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: I
Mutation: NULL

>6WEQ_I|Chain E, G, I, K|2B7 Fab fragment heavy chain|Mus musculus (10090)
MEWSWIFLFLLSGTAGVHSEVQLQQSGPELVKPGASVKMSCKASGCTLTNCFMHWMKQKPGQDLEWIGYINPYNDMTKYSENFKGKATLTSDKSSSTAFMELSSLTSEDSAVYYCARGYLLRTGCFDYWGQGTTLTVSSAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPSGPISTINPCPPCKECHKCPAPNLEGGPSV

Light Chain: J
Mutation: NULL

>6WEQ_J|Chain F, H, J, L|2B7 Fab fragment light chain|Mus musculus (10090)
METDTLLLWVLLLWVPGSTGNIVLTQSPASLAVSLGQRATISCRASESVDSYGYSFMHWYQQKPGQPPKVLIYLASNLESGVPARFSGSGSRTDFTLTIDPVEADDAATYYCQQNNENPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: C
Mutation: NULL

>6WEQ_C|Chain A, B, C, D|Non-structural protein 1|Dengue virus 1 (11053)
AHHHHHHSSGVDLGTENLYFQSNADSGCVINWKGRELKCGSGIFVTNEVHTWTEQYKFQADSPKRLSAAIGKAWEEGVCGIRSATRLENIMWKQISNELNHILLENDMKFTVVVGDVSGILAQGKKMIRPQPMEHKYSWKSWGKAKIIGADVQNTTFIIDGPNTPECPDNQRAWNIWEVEDYGFGIFTTNIWLKLRDSYTQVCDHRLMSAAIKDSKAVHADMGYWIESEKNETWKLARASFIEVKTCIWPKSHTLWSNGVLESEMIIPKIYGGPISQHNYRPGYFTQTAGPWHLGKLELDFDFCEGTTVVVDEHCGNRGPSLRTTTVTGKIIHEWCCRSCTLPPLRFKGEDGCWYGMEIRPVKDKEENLVKSMVSA

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: LEU29 THR30 ASN31 TYR50 ASN54 MET56 LYS58 TYR99 LEU100 LEU101 ARG102 THR103 GLY104

J: TYR32 TYR34 PHE36 TYR53 LEU54 ASN98

C: HIS269 LEU270 GLU281 GLY282 ARG299 THR301 VAL303 THR304 GLY305 LYS306 ILE307 GLU326 ASP327 GLY328 TRP330 ASN344 LEU345 VAL346 LYS347 MET349

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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