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Entry information

Complex
AACDB_ID: 4157
PDBID: 7LLK
Chains: CD_A
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: EM
Resolution (Å): 4.80
Reference: 10.1016/j.celrep.2021.109922
Antibody
Antibody: 179NC75 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 Q23.17_DS-SOSIP gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>7LLK_C|Chain C, G, K|179NC75 Fab Heavy chain|Homo sapiens (9606)
EMRLEESGGALVKPGGSLRLSCVASGFKLSEWSLMWVRQAPGKGLQWVSSISLNQDYISYAGSVRGRFDVFRDRTQTSLLLNMNKLKTEDTGVYFCARVHAWRYFDWVNRRSPVEKVLSIDLWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK

Light Chain: D
Mutation: NULL

>7LLK_D|Chain D, H, L|179NC75 Fab Light chain|Homo sapiens (9606)
SVTSGATQPPSVSVSKGETARITCSGVELSSQYVSWYRQRPGQSPVLVMFHNNSRASRIPERFSASDSGDTATLTIAGAQDVDEAEYYCQTWDSKNYVTFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>7LLK_A|Chain A, E, I|Envelope glycoprotein gp120|Human immunodeficiency virus 1 (11676)
AENLWVTVYYGVPVWRDADTTLFCASDAKAYETEKHNVWATHACVPTDPNPQEIHLDNVTEKFNMWKNNMVEQMHTDIISLWDQSLKPCVKLTPLCVTLHCTNVTSVNTTGDREGLKNCSFNMTTELRDKRQKVYSLFYRLDIVPINENQGSEYRLINCNTSACTQACPKVSFEPIPIHYCAPAGFAILKCKDEGFNGTGLCKNVSTVQCTHGIKPVVSTQLLLNGSLAEKNITIRSENITNNAKIIIVQLVQPVTIKCIRPNNNTRKSIRIGPGQAFYATGDIIGDIRQAHCNVSRSRWNKTLQEVAEKLRTYFGNKTIIFANSSGGDLEITTHSFNCGGEFFYCNTSGLFNSTWYVNSTWNDTDSTQESNDTITLPCRIKQIINMWQRAGQCMYAPPIPGVIKCESNITGLLLTRDGGKDNNVNETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTRCKRRVVERRRRRR

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

C: ARG99

D: SER30 GLN31 TYR32 PHE49 HIS50 ASN51 ASN52

A: THR278 ASN279 ASN280 ALA281 LYS282 ILE283 SER364 SER365 GLY366 GLY367 ILE371 THR372 THR455 ARG456 ASP457 GLY458 GLY459 LYS460 ASP461 ASN462 ARG469 GLY473

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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