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Entry information

Complex
AACDB_ID: 1795
PDBID: 5V8L
Chains: GK_C
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: EM
Resolution (Å): 4.30
Reference: 10.1016/j.immuni.2017.03.017
Antibody
Antibody: 3BNC117 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 BG505 SOSIP.664 gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: G
Mutation: NULL

>5V8L_G|Chain G, H, I|3BNC117 antibody, heavy chain|Homo sapiens (9606)
QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: K
Mutation: NULL

>5V8L_K|Chain K, L, M|3BNC117 antibody, light chain|Homo sapiens (9606)
DIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDLKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: C
Mutation: NULL

>5V8L_C|Chain A, C, D|gp120|Human immunodeficiency virus 1 (11676)
AENLWVTVYYGVPVWKDAETTLFCASDAKAYETEKHNVWATHACVPTDPNPQEIHLENVTEEFNMWKNNMVEQMHTDIISLWDQSLKPCVKLTPLCVTLQCTNVTNNITDDMRGELKNCSFNMTTELRDKKQKVYSLFYRLDVVQINENQGNRSNNSNKEYRLINCNTSAITQACPKVSFEPIPIHYCAPAGFAILKCKDKKFNGTGPCPSVSTVQCTHGIKPVVSTQLLLNGSLAEEEVMIRSENITNNAKNILVQFNTPVQINCTRPNNNTRKSIRIGPGQAFYATGDIIGDIRQAHCNVSKATWNETLGKVVKQLRKHFGNNTIIRFANSSGGDLEVTTHSFNCGGEFFYCNTSGLFNSTWISNTSVQGSNSTGSNDSITLPCRIKQIINMWQRIGQAMYAPPIQGVIRCVSNITGLILTRDGGSTNSTTETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTRCKRRVVGRRRRRR

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)

G: ARG30 PHE33 TRP47 TRP50 LYS53 THR54 GLY55 GLN56 PRO57 ASN58 ASN59 PRO60 ARG61 GLN64 TRP71 PHE73 GLN95 ASP98

K: ASP1 ILE2 TYR32 TYR91 GLU96 PHE97

C: ASN197 THR198 GLU275 ASN276 THR278 ASN279 ASN280 ALA281 LYS282 PHE353 ARG360 SER365 GLY366 GLY367 ASP368 VAL371 GLN428 ILE430 THR455 ARG456 ASP457 GLY458 GLY459 SER460 THR461 SER463 GLU466 THR467 ARG469 PRO470 GLY471 GLY472 GLY473 ASP474

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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