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Entry information

Complex
AACDB_ID: 1835
PDBID: 5VN3
Chains: MO_J
Organism: Homo sapiens, Human immunodeficiency virus 1
Method: EM
Resolution (Å): 3.70
Reference: 10.1038/nature23010
Antibody
Antibody: 17b Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 B41 SOSIP.664 gp160
Antigen mutation: Yes
Durg Target: P00750

Sequence information

Antibody

Heavy Chain: M
Mutation: NULL

>5VN3_M|Chain E[auth H], J[auth K], O[auth M]|17b Fab heavy chain|Homo sapiens (9606)
QVQLLESGAEVKKPGSSVKVSCKASGDTFIRYSFTWVRQAPGQGLEWMGRIITILDVAHYAPHLQGRVTITADKSTSTVYLELRNLRSDDTAVYFCAGVYEGEADEGEYDNNGFLKHWGQGTLVTVTSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK

Light Chain: O
Mutation: NULL

>5VN3_O|Chain A[auth L], F[auth N], K[auth O]|17b Fab light chain|Homo sapiens (9606)
ELELTQSPATLSVSPGERATLSCRASESVSSDLAWYQQKPGQAPRLLIYGASTRATGVPARFSGSGSGAEFTLTISSLQSEDFAVYYCQQYNNWPPRYTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG

Antigen

Chain: J
Mutation: A512C

>5VN3_J|Chain C[auth G], H[auth I], M[auth J]|Envelope glycoprotein gp160|Human immunodeficiency virus 1 (11676)
MDAMKRGLCCVLLLCGAVFVSPSQEIHARFRRGARAAKKWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEIVLGNVTENFNMWKNNMVEQMHEDIISLWDQSLKPCVKLTPLCVTLNCNNVNTNNTNNSTNATISDWEKMETGEMKNCSFNVTTSIRDKIKKEYALFYKLDVVPLENKNNINNTNITNYRLINCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNSKTFNGSGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEEIVIRSENITDNAKTIIVQLNEAVEINCTRPNNNTRKSIHIGPGRAFYATGDIIGNIRQAHCNISKARWNETLGQIVAKLEEQFPNKTIIFNHSSGGDPEIVTHSFNCGGEFFYCNTTPLFNSTWNNTRTDDYPTGGEQNITLQCRIKQIINMWQGVGKAMYAPPIRGQIRCSSNITGLLLTRDGGRDQNGTETFRPGGGNMRDNWRSELYKYKVVKIEPLGIAPTACKRRV

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)

O: SER30 SER31 TYR49 THR53 THR56 TRP94

M: GLN1 VAL2 ILE53 LEU54 ASP55 VAL56 HIS58 TYR96 GLY98 LYS101 HIS102

J: CYS119 VAL120 LEU122 VAL200 THR202 GLN203 ALA204 CYS205 LYS305 SER306 HIS308 ILE309 ASN325 ARG327 PRO369 ARG419 ILE420 LYS421 GLN422 ILE423 LYS432 ALA433 MET434 TYR435 PRO437 ARG440

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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