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Entry information

Complex
AACDB_ID: 6794
PDBID: 4DQO
Chains: HL_C
Organism: Homo sapiens, Human immunodeficiency virus 1
Method: XRD
Resolution (Å): 2.44
Reference: 10.1038/nsmb.2600
Antibody
Antibody: PG16 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 ZM109 strain envelope glycoprotein gp120 V1V2 1FD6 scaffold
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>4DQO_H|Chain A[auth H]|PG16 Fab Heavy Chain|Homo sapiens (9606)
QEQLVESGGGVVQPGGSLRLSCLASGFTFHKYGMHWVRQAPGKGLEWVALISDDGMRKYHSDSMWGRVTISRDNSKNTLYLQFSSLKVEDTAMFFCAREAGGPIWHDDVKYYDFNDGYYNYHYMDVWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCGLEVLF

Light Chain: L
Mutation: NULL

>4DQO_L|Chain B[auth L]|PG16 Fab Light Chain|Homo sapiens (9606)
QSALTQPASVSGSPGQTITISCQGTSSDVGGFDSVSWYQQSPGKAPKVMVFDVSHRPSGISNRFSGSKSGNTASLTISGLHIEDEGDYFCSSLTDRSHRIFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: C
Mutation: NULL

>4DQO_C|Chain C|1FD6-V1V2 scaffold ZM109 HIV-1 strain|Human immunodeficiency virus 1 (11676)
MTTFKLAACVTLACTSPAAHAESETRVKHCSFNITTDVKDRKQKVNATFYDLDIVPLSSSDASSASSLYRLISCQTTTTEAVDAATAAKVFKQYANDNGIDGEWTYDDATKTFTVTEGLEVLFQ

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)

C: SER158 ASN160 THR163 LYS166 ASP167 ARG168 LYS169 GLN170 LYS171 VAL172 ASN173 ASP223 GLY224

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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