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Entry information

Complex
AACDB_ID: 2933
PDBID: 6ULC
Chains: HL_A
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: EM
Resolution (Å): 4.60
Reference: 10.1016/j.jmb.2019.11.028
Antibody
Antibody: PG16 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6ULC_H|Chain G[auth H]|antibody PG16 Fab heavy chain|Homo sapiens (9606)
MEFGLSWVFLVALLRGVQCQEQLVESGGGVVQPGGSLRLSCLASGFTFHKYGMHWVRQAPGKGLEWVALISDDGMRKYHSDSMWGRVTISRDNSKNTLYLQFSSLKVEDTAMFFCAREAGGPIWHDDVKYYDFNDGYYNYHYMDVWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKASGGGSAWSHPQFEKGGGSGGGSGGSSAWSHPQFEK

Light Chain: L
Mutation: NULL

>6ULC_L|Chain H[auth L]|antibody PG16 Fab light chain|Homo sapiens (9606)
MAWALLLLTLLTQGTGSWAQSALTQPASVSGSPGQTITISCNGTSSDVGGFDSVSWYQQSPGKAPKVMVFDVSHRPSGISNRFSGSKSGNTASLTISGLHIEDEGDYFCSSLTDRSHRIFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTECSGGSGGHHHHHHHHHH

Antigen

Chain: A
Mutation: NULL

>6ULC_A|Chain A, C, E|envelope glycoprotein gp120,envelope glycoprotein gp120|Human immunodeficiency virus 1 (11676)
MRVRGIQRNCQHLWRWGTLILGMLMICSAAENLWVTVYYGVPVWKDAETTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEIYMENVTEEFNMWKNNMVEQMHTDIISLWDQSLKPCVQLTPLCVTLDCSYNITNNITNSITNSSVNMREEIKNCSFNMTTELRDKNRKVYSLFYKLDVVQINNGNNSSNLYRLINCNTSALTQACPKVTFEPIPIRYCAPAGYAILKCNDKEFNGTGLCKNVSTVQCTHGIRPVVSTQLLLNGSLAEGKVMIRSENITNNVKNIIVQLNETVTINCTRPNNNTRKSVRIGPGQTFYATGDIIGDIRQAHCNVSGSQWNRALHQVVGQLREYWNTTIIFKNSSGGDLEITTHSFNCGGEFFYCNTSGLFNSNWTHNDTASMKPNDTITLPCRIKQIINMWQRVGQAIYAPPIQGVIRCESNITGLILTRDGGGNINESQIFRPGGGDMRDNWRSELYKYKVVRIEPLGVAPTKAKRRVVEREKR

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

A: SER158 ASN160 LEU165 ARG166 ASP167 LYS168 ASN169 ARG170 LYS171 VAL172 TYR173

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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