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Entry information

Complex
AACDB_ID: 6696
PDBID: 3TYG
Chains: HL_A
Organism: HIV-1 unknown group, Homo sapiens
Method: XRD
Resolution (Å): 3.25
Reference: 10.1126/science.1213256
Antibody
Antibody: PGT128 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 glycosylated engineered gp120 outer domain with miniV3 (eODmV3)
Antigen mutation: Yes
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>3TYG_H|Chain C[auth H]|PGT128 heavy chain, Ig gamma-1 chain C region|Homo sapiens (9606)
QPQLQESGPTLVEASETLSLTCAVSGDSTAACNSFWGWVRQPPGKGLEWVGSLSHCASYWNRGWTYHNPSLKSRLTLALDTPKNLVFLKLNSVTAADTATYYCARFGGEVLRYTDWPKPAWVDLWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCD

Light Chain: L
Mutation: NULL

>3TYG_L|Chain B[auth L]|PGT128 light chain, Ig lambda-2 chain C regions|Homo sapiens (9606)
QSALTQPPSASGSPGQSITISCTGTSNNFVSWYQQHAGKAPKLVIYDVNKRPSGVPDRFSGSKSGNTASLTVSGLQTDDEAVYYCGSLVGNWDVIFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: 23I/ T86S/I88C/K108P/R109G

>3TYG_A|Chain A|Envelope glycoprotein gp160|Human immunodeficiency virus 1 (540993)
DTITLPCRPAPPPHCSSNITGLILTRDGGNSNNESEIFRPGGGDMRDIARCQIAGTVVSTQLLLNGSLAEEEVVIRSVNFTDNAKSICVQLNTSVEINCTRPNNNTRPGEIIGDIRQAHCNISRAKWNNTLKQIASKLREQFGNNKTIIFKQSSGGDPEIVTHSFNCGGEFFYCDSTQLFNSTWFNSTWSGTKHHHHHH

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: CYS32 TRP52

A: THR100 ASN103 ASN104 ARG107 ILE111 ILE112 GLY113 ASP114 ILE115 ARG116 HIS119

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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