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Entry information

Complex
AACDB_ID: 3108
PDBID: 6WAS
Chains: AB_G
Organism: Homo sapiens
Method: XRD
Resolution (Å): 1.90
Reference: 10.1371/journal.ppat.1009543
Antibody
Antibody: D19.PA8 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 clade C 16055 strain V1V2 1FD6 scaffold
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: A
Mutation: NULL

>6WAS_A|Chain A, C[auth H]|GN1_PA8 Fab Heavy chain|Homo sapiens (9606)
QVQLVESGGGLAKPGGSLRLSCAASGITFSEDYMHWVRQASGKGLEWVSRISYDSDNTWYADSVKGRFTISRENAKNTLYLQMDSLRAEDTAVYYCARAPVWTGYTSLDVWGRGVLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKS

Light Chain: B
Mutation: NULL

>6WAS_B|Chain B, D[auth L]|GN1_PA8 Fab Light chain|Homo sapiens (9606)
QVVFSQPHSVSGSPGQTVTISCTRSSGSIDNEYVRWYQQRPGSVPTIVIYKDNQRPSGVPDRFSGSIDSSSNSASLAISGLQSEDEADYYCQSSDDNFNWVFGGGTRLTVLRQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: G
Mutation: NULL

>6WAS_G|Chain E[auth G], F[auth J]|1FD6 16055 V1V2 scaffold|Homo sapiens (9606)
MTTFKLAACVTLECRQVNTTNATSSVNVTNGEEIKNCSFNATTEIRDKKQKVYALFYRLDIVPLEEERKGNSSKYRLINCQTTTTEAVDAATAAKVFKQYANDNGIDGEWTYDDATKTFTVTEGLEVLFQGPGHHHHHHHHSAWSHPQFEK

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)

A: TYR33 ARG50 TYR52 VAL97 TRP98

B: ASP29 ASN30 GLU31 TYR32 ARG34 LYS50 ASP51 SER91 TRP96

G: GLN133 GLU153 LYS155 ARG178 VAL182 PRO183 LEU184 GLU185 ASN187

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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