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Entry information

Complex
AACDB_ID: 3419
PDBID: 7BSD
Chains: HL_I
Organism: Homo sapiens, Zika virus
Method: XRD
Resolution (Å): 2.53
Reference: 10.1126/science.abb9425
Antibody
Antibody: 1G5.3 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: ZIKV NS1C
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7BSD_H|Chain A, E[auth H]|1G5.3 Fab Heavy Chain|Homo sapiens (9606)
EVKLQESGPGLVRPSQSLSLTCSVTGYSITSGYYWNWIRQFPGNKLEWMGYISYDGRSNYNPSLKNRISITRDTSKNQFFLKLNFVTTEDTATYYCASFYYYTSRPLVYWGQGTLLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: L
Mutation: NULL

>7BSD_L|Chain B, F[auth L]|1G5.3 Fab Light Chain|Homo sapiens (9606)
EIVLTQSPASLAVSLGQRATISCRASESVEYSGTSLMHWYQQKPGQPPKLLIYAASNVESGVPARFSGSGSGTDFSLNIHPVEEDDIAMYFCQQSRKVPYTFGGGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: I
Mutation: NULL

>7BSD_I|Chain C[auth G], D[auth I]|NS1C|Zika virus (64320)
REDYSLECDPAVIGTAVKGKEAVHSDLGYWIESEKNDTWRLKRAHLIEMKTCEWPKSHTLWTDGIEESDLIIPKSLAGPLSHHNTREGYRTQMKGPWHSEELEIRFEECPGTKVHVEETCGTRGPSLRSTTASGRVIEEWCCRECTMPPLSFRAKDGCWYGMEIRPRKEPESNLVRSMVTA

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)

Chain residues position delta_SASA : residuesposition

H: GLU20 VAL21 GLY45 TYR46 SER47 SER50 TYR52 TYR119 TYR120 TYR121 THR122 SER123 PRO125 VAL127 TYR128

L: LEU69 TYR72 GLU78 SER79

I: PRO281 GLY282 LYS284 ARG299 THR301 THR302 ALA303 SER304 GLY305 ARG306 VAL307 GLU309 ALA325 LYS326 ASP327 GLY328 CYS329

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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