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Entry information

Complex
AACDB_ID: 7058
PDBID: 4YWG
Chains: IM_Q
Organism: Homo sapiens, Human immunodeficiency virus 1
Method: XRD
Resolution (Å): 3.00
Reference: 10.1128/JVI.00754-15
Antibody
Antibody: 830A Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Scaffold HIV-1 gp120 V1V2 region derived from strain ZM10
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: I
Mutation: NULL

>4YWG_I|Chain B[auth H], E[auth I]|Heavy chain of anti-HIV-1 gp120 V1V2 antibody 830A|Homo sapiens (9606)
QVQLQQWGPGLLKPSETLSLTCAVYGGSFGRYYWSWIRQSSGEGLEWLGQIDHTGSTTYNPSLKGRVTISIDSSTNQFSLKVTSVIAADTAVYYCARAPSGYPGVSLYQYYGLDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP

Light Chain: M
Mutation: NULL

>4YWG_M|Chain A[auth L], D[auth M]|Light chain of anti-HIV-1 gp120 V1V2 antibody 830A|Homo sapiens (9606)
DTVMTQSPATLSVSPGERVTLSCRASQIINTNLAWYQKRPGQAPRLLIYAASARATGIPARFSGSGSGTEFTLTISGLQSEDSAVYYCQQYKHWPPYTFGRGTKLEIRRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECS

Antigen

Chain: Q
Mutation: NULL

>4YWG_Q|Chain C[auth G], F[auth Q]|Scaffold HIV-1 gp120 V1V2 region derived from strain ZM109|Human immunodeficiency virus 1 (11676)
MTTFKLAACVTLNCTSPAAHNESETRVKHCSFNITTDVKDRKQKVNATFYDLDIVPLSSSDNSSNSSLYRLISCQTTTTEAVDAATAAKVFKQYANDNGIDGEWTYDDATKTFTVTEGLEVLFQ

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)

M: ARG18 THR20 TYR49 ALA50 SER52 ALA53 SER63 SER65 GLY66 SER67 THR72 THR74

I: ARG31 TYR32 ARG94 PRO96 GLY98 TYR99 ASP101

Q: LYS122 GLU151 THR152 ARG153 VAL154 THR175 PHE176 TYR177 LEU179 ASP180 VAL182 LEU193 ILE194 SER195 ASP230 ALA231 THR232

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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