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Entry information

Complex
AACDB_ID: 3885
PDBID: 7K93
Chains: K_D
Organism: dengue virus type 2, Mus musculus
Method: XRD
Resolution (Å): 2.89
Reference: 10.1126/science.abc0476
Antibody
Antibody: 2B7 scFv
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: dengue virus non-structural protein 1(NS1)
Antigen mutation: No
Durg Target: P12823; P27914;

Sequence information

Antibody

Chain: K
Mutation: NULL

>7K93_K|Chain E, F[auth G], G[auth I], H[auth K]|2B7 single chain fab variable region|Mus musculus (10090)
SNAEVQLQQSGPELVKPGASVKMSCKASGCTLTNCFMHWMKQKPGQDLEWIGYINPYNDMTKYSENFKGKATLTSDKSSSTAFMELSSLTSEDSAVYYCARGYLLRTGCFDYWGQGTTLTVSSGGSGGGSGGGSGGGSGGNIVLTQSPASLAVSLGQRATISCRASESVDSYGYSFMHWYQQKPGQPPKVLIYLASNLESGVPARFSGSGSRTDFTLTIDPVEADDAATYYCQQNNENPLTFGAGTKLELK

Antigen

Chain: D
Mutation: NULL

>7K93_D|Chain A, B, C, D|Non-structural protein 1|Dengue virus 2 (11060)
AHHHHHHSSGVDLGTENLYFQSNADSGCVVSWKNKELKCGSGIFITDNVHTWTEQYKFQPESPSKLASAIQKAHEEGICGIRSVTRLENLMWKQITPELNHILSENEVKLTIMTGDIKGIMQAGKRSLRPQPTELKYSWKTWGKAKMLSTESHNQTFLIDGPETAECPNTNRAWNSLEVEDYGFGVFTTNIWLKLKEKQDVFCDSKLMSAAIKDNRAVHADMGYWIESALNDTWKIEKASFIEVKNCHWPKSHTLWSNGVLESEMIIPKNLAGPVSQHNYRPGYHTQITGPWHLGKLEMDFDFCDGTTVVVTEDCGNRGPSLRTTTASGKLITEWCCRSCTLPPLRYRGEDGCWYGMEIRPLKEKEENLVNSLVTA

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)

K: LEU29 THR30 TYR50 ASN55 MET57 LYS59 TYR100 LEU101 LEU102 ARG103 THR104 GLY105 GLY137 TYR169 TYR171 PHE173 TYR190 LEU191 ASN235

D: ASP92 HIS269 LEU270 ASP281 GLY282 ARG299 THR301 THR302 ALA303 SER304 GLY305 LEU307 GLY325 GLU326 ASP327 GLY328 TRP330 GLU343 ASN344 LEU345 VAL346 ASN347

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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