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Entry information

Complex
AACDB_ID: 7109
PDBID: 5FUU
Chains: MN_E
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: EM
Resolution (Å): 4.19
Reference: 10.1126/science.aad2450
Antibody
Antibody: PGT151 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 JR-FL gp120
Antigen mutation: Yes
Durg Target:

Sequence information

Antibody

Heavy Chain: M
Mutation: NULL

>5FUU_M|Chain G[auth H], I[auth M]|IMMUNOGLOBULIN G PGT151|HOMO SAPIENS (9606)
RVQLVESGGGVVQPGKSVRLSCVVSDFPFSKYPMYWVRQAPGKGLEWVAAISGDAWHVVYSNSVQGRFLVSRDNVKNTLYLEMNSLKIEDTAVYRCARMFQESGPPRLDRWSGRNYYYYSGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDK

Light Chain: N
Mutation: NULL

>5FUU_N|Chain H[auth L], J[auth N]|IMMUNOGLOBULIN G PGT151|HOMO SAPIENS (9606)
DIVMTQTPLSLSVTPGQPASISCKSSESLRQSNGKTSLYWYRQKPGQSPQLLVFEVSNRFSGVSDRFVGSGSGTDFTLRISRVEAEDVGFYYCMQSKDFPLTFGGGTKVDLKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: E
Mutation: V1T

>5FUU_E|Chain A, C, E|HIV-1 ENVELOPE GLYCOPROTEIN GP160|HUMAN IMMUNODEFICIENCY VIRUS 1 (11676)
TEKLWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEVVLENVTEHFNMWKNNMVEQMQEDIISLWDQSLKPCVKLTPLCVTLNCKDVNATNTTNDSEGTMERGEIKNCSFNITTSIRDEVQKEYALFYKLDVVPIDNNNTSYRLISCDTSVITQACPKISFEPIPIHYCAPAGFAILKCNDKTFNGKGPCKNVSTVQCTHGIRPVVSTQLLLNGSLAEEEVVIRSDNFTNNAKTIIVQLKESVEINCTRPNNNTRKSIHIGPGRAFYTTGEIIGDIRQAHCNISRAKWNDTLKQIVIKLREQFENKTIVFNHSSGGDPEIVMHSFNCGGEFFYCNSTQLFNSTWNNNTEGSNNTEGNTITLPCRIKQIINMWQEVGKAMYAPPIRGQIRCSSNITGLLLTRDGGINENGTEIFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKAKRRVVQREKR

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: ASP109 TRP111 SER112 GLY113 ARG114 TYR116

N: ARG30 SER32

E: ALA28 THR47 ASP48 ASN50 GLN52 GLU53 VAL54 VAL55 THR212 VAL213 GLN214

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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