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Entry information

Complex
AACDB_ID: 554
PDBID: 3JWD
Chains: OP_B
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: XRD
Resolution (Å): 2.61
Reference: 10.1073/pnas.0911004107
Antibody
Antibody: 48D Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 gp120
Antigen mutation: No
Durg Target: P12488; P35961;

Sequence information

Antibody

Heavy Chain: O
Mutation: NULL

>3JWD_O|Chain C[auth L], G[auth O]|FAB 48D LIGHT CHAIN|Homo sapiens (9606)
DIQMTQSPSSVSASVGDRVTITCRASQDISTWLAWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFSLTINSLQPEDFATYYCQQANSFFTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKLYACEVTHQGLSSPVTKSFNRGEC

Light Chain: P
Mutation: NULL

>3JWD_P|Chain D[auth H], H[auth P]|FAB 48D HEAVY CHAIN|Homo sapiens (9606)
EVQLVQSGAEVKKPGATVKISCKASGYTFSDFYMYWVRQAPGKGLEWMGLIDPEDADTMYAEKFRGRVTITADTSTDTGYLELSSLRSEDTAVYYCAADPWELNAFNVWGQGTLVSVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK

Antigen

Chain: B
Mutation: NULL

>3JWD_B|Chain A, E[auth B]|HIV-1 GP120 ENVELOPE GLYCOPROTEIN|Human immunodeficiency virus 1 (11676)
TEKLWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEVVLVNVTENFNMWKNDMVEQMHEDIISLWDQSLKPCVKLTGGSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGTGPCTNVSTVQCTHGIRPVVSSQLLLNGSLAEEEVVIRSVNFTDNAKTIIVQLNTSVEINCTGAGHCNIARAKWNNTLKQIASKLREQFGNNKTIIFKQSSGGDPEIVTHWFNCGGEFFYCNSTQLFNSTWFNSTWSTEGSNNTEGSDTITLPCRIKQIINMWQKVGKAMYAPPISGQIRCSSNITGLLLTRDGGNSNNESEIFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKAKRRVVQSEKS

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: ASP1 ILE2 GLN27 ASP28 SER30 TRP32 GLN90 ASN92 SER93 PHE94 PHE96

P: TYR33 LEU50 GLU53 ASP54 ASP56 THR57 MET58 ARG64

B: CYS119 VAL120 LEU122 VAL200 THR202 GLN203 ALA204 CYS205 PRO206 PRO369 ARG419 LYS421 GLN422 ILE423 LYS432 ALA433 MET434 TYR435 ALA436 PRO437 PRO438

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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