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Entry information

Complex
AACDB_ID: 6236
PDBID: 8G4T
Chains: JK_B
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: EM
Resolution (Å): 2.81
Reference: 10.1016/j.celrep.2023.112755
Antibody
Antibody: 2C09 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 BG505 DS-SOSIP envelope glycoprotein - gp41
Antigen mutation: Yes
Durg Target:

Sequence information

Antibody

Heavy Chain: J
Mutation: NULL

>8G4T_J|Chain G[auth D], I[auth H], K[auth J]|Fab 2C09 heavy chain|Homo sapiens (9606)
EVQLVESGEGLVQPGGSLRLSCAASGFTFSSHAMHWVRQAPGKGLEYVSAISSEGGSTYYADSVRGRFIISRDNSKNTLYLQMGSLRAEDMAVYYCARVTGDYNWYFDLWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKGLEVLFQ

Light Chain: K
Mutation: NULL

>8G4T_K|Chain H[auth E], J[auth K], L|Fab 2C09 light chain|Homo sapiens (9606)
EIVMTQSPATLSVSPGERATLSCRASQGVSSNLAWYQQKPGQAPRLLIHGASTRATGSPARFSGSGSGTEFTLTISSLQSEDFAVYSCQQYHNWPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: B
Mutation: T94C

>8G4T_B|Chain A, B, D[auth F]|Envelope glycoprotein BG505 DS-SOSIP gp41|Human immunodeficiency virus 1 (11676)
AVGIGAVFLGFLGAAGSTMGAASMTLTVQARNLLSGIVQQQSNLLRAIEAQQHLLKLTVWGIKQLQARVLAVERYLRDQQLLGIWGCSGKLICCTNVPWNSSWSNRNLSEIWDNMTWLQWDKEISNYTQIIYGLLEESQNQQEKNEQDLLALD

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)

J: SER31 HIS32 ALA33 HIS35 ALA50 ILE51 SER52 GLU53 GLY55 SER56 TYR58 VAL95 GLY97 ASP98 TYR99

K: TRP94 TRP96

B: ALA512 VAL513 GLY514 ILE515 GLY516 ALA517 VAL518 PHE519 LEU520 SER528 ALA532 MET535 VAL539 ARG542

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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