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Entry information

Complex
AACDB_ID: 3182
PDBID: 6X5B
Chains: OM_J
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: EM
Resolution (Å): 3.60
Reference: 10.1016/j.celrep.2020.108428
Antibody
Antibody: 17b Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 B41 SOSIP gp120
Antigen mutation: Yes
Durg Target: P00750

Sequence information

Antibody

Heavy Chain: O
Mutation: NULL

>6X5B_O|Chain E[auth H], J[auth I], O|17b Fab heavy chain|Homo sapiens (9606)
QVQLLESGAEVKKPGSSVKVSCKASGDTFIRYSFTWVRQAPGQGLEWMGRIITILDVAHYAPHLQGRVTITADKSTSTVYLELRNLRSDDTAVYFCAGVYEGEADEGEYDNNGFLKHWGQGTLVTVTSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK

Light Chain: M
Mutation: NULL

>6X5B_M|Chain C[auth F], H[auth L], M|17b Fab light chain|Homo sapiens (9606)
ELELTQSPATLSVSPGERATLSCRASESVSSDLAWYQQKPGQAPRLLIYGASTRATGVPARFSGSGSGAEFTLTISSLQSEDFAVYYCQQYNNWPPRYTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG

Antigen

Chain: J
Mutation: A512C/E520R/K521R/A523R/V524R

>6X5B_J|Chain A, F[auth D], K[auth J]|Envelope glycoprotein gp120|Human immunodeficiency virus 1 (11676)
MDAMKRGLCCVLLLCGAVFVSPSQEIHARFRRGARAAKKWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEIVLGNVTENFNMWKNNMVEQMHEDIISLWDQSLKPCVKLTPLCVTLNCNNVNTNNTNNSTNATISDWEKMETGEMKNCSFNVTTSIRDKIKKEYALFYKLDVVPLENKNNINNTNITNYRLINCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNSKTFNGSGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEEIVIRSENITDNAKTIIVQLNEAVEINCTRPNNNTRKSIHIGPGRAFYATGDIIGNIRQAHCNISKARWNETLGQIVAKLEEQFPNKTIIFNHSSGGDPEIVTHSFNCGGEFFYCNTTPLFNSTWNNTRTDDYPTGGEQNITLQCRIKQIINMWQGVGKAMYAPPIRGQIRCSSNITGLLLTRDGGRDQNGTETFRPGGGNMRDNWRSELYKYKVVKIEPLGIAPTACKRRVVQRRRRRR

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: TRP94

O: ILE53 LEU54 ASP55 VAL56 HIS58 TYR96 GLY98 GLU99

J: CYS119 VAL120 LEU122 VAL200 THR202 GLN203 ALA204 CYS205 LYS305 SER306 ILE326 ARG327 ARG419 LYS421 GLN422 ILE423 LYS432 ALA433 MET434 PRO437

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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