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Entry information

Complex
AACDB_ID: 6270
PDBID: 8GPJ
Chains: DE_V
Organism: Homo sapiens
Method: EM
Resolution (Å): 3.50
Reference: 10.1038/s41467-023-40321-x
Antibody
Antibody: 8ANC195 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 X16 uncleaved prefusion-optimized (UFO) envelope glycoprotein - gp41
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: D
Mutation: NULL

>8GPJ_D|Chain A, C[auth D], E[auth H]|8ANC195 Fab heavy chain|Homo sapiens (9606)
QIHLVQSGTEVKKPGSSVTVSCKAYGVNTFGLYAVNWVRQAPGQSLEYIGQIWRWKSSASHHFRGRVLISAVDLTGSSPPISSLEIKDLTSDDTAVYFCTTTSTYDKWSGLHHDGVMAFSSWGQGTLISVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: E
Mutation: NULL

>8GPJ_E|Chain B[auth C], D[auth E], F[auth L]|8ANC195 Fab light chain|Homo sapiens (9606)
DIQMTQSPSTLSASIGDTVRISCRASQSITGNWVAWYQQRPGKAPRLLIYRGAALLGGVPSRFSGSAAGTDFTLTIGNLQAEDFGTFYCQQYDTYPGTFGQGTKVEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: V
Mutation: NULL

>8GPJ_V|Chain G[auth U], H[auth V], I[auth W], J[auth X], K[auth Y], L[auth Z]|X16 UFO gp41|Homo sapiens (9606)
NLWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEMVLENVTENFNMWKNEMVNQMHEDVISLWDQSLKPCVKLTPLCVTLDCTTVNSNSSSNSSNSSGNSNSTLEDMQEMKNCSFNTTTELRDKKQKVYALFYKLDIVPLSNNSSEYRLINCNTSAITQACPKVSFDPIPIHYCTPAGYALLKCNDKRFNGTGPCHNVSTVQCTHGIKPVVSTQLLLNGSLAEKEIIVRSENLTNNVKTIIVHLNKSVEIVCTRPGNNTRKSIRIGPGQTFYATGDIIGDIRQAHCNISRGDWEETLHNVRKNLAEHFQNKTIQFASSSGGDLEITTHSFNCRGEFFYCNTSGLFNSTYMPNSTFNGTESNLTITIPCRIKQIINMWQEVGRAMYAPPIAGNITCKSNITGLLLVRDGGKESNSTEIFRPGGGDMRDNWRSELYKYKVVEIKPLGVAPTECKRRVVEGGGGSGGGGSAVGIGAVFLGFLGVAGSTMGAASVALTVQARQLLSGNPDWLPDMTVWGIKQLQTRVLAIERYLKDQQLLGIWGCSGKLICCTAVPWNSSWSNKSQTEIWNNMTWMQWDEEISNYTATIYRLLEVSQNQQERNEKDLLALD

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

D: LYS106 TRP107 SER108 GLY109 HIS112 ASP113

E: SER27 THR29 GLY30 ASN31 TRP32 ARG50 ALA67 GLY68 ASP92

V: SER613 TRP614 SER615 ASN616 LYS617 MET629 GLN630 ASP632 GLU633 GLU634 SER636 ASN637 TYR638

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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