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Entry information

Complex
AACDB_ID: 1680
PDBID: 5THR
Chains: OL_F
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: EM
Resolution (Å): 8.90
Reference: 10.1073/pnas.1615939113
Antibody
Antibody: 17b Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 BG505 SOSIP gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: O
Mutation: NULL

>5THR_O|Chain M, N, O|17b Fab VH domain|Homo sapiens (9606)
EVQLVESGAEVKKPGSSVKVSCKASGDTFIRYSFTWVRQAPGQGLEWMGRIITILDVAHYAPHLQGRVTITADKSTSTVYLELRNLRSDDTAVYFCAGVYEGEADEGEYDNNGFLKHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK

Light Chain: L
Mutation: NULL

>5THR_L|Chain J, K, L|17b Fab VL domain|Homo sapiens (9606)
DIVMTQSPATLSVSPGERATLSCRASESVSSDLAWYQQKPGQAPRLLIYGASTRATGVPARFSGSGSGAEFTLTISSLQSEDFAVYYCQQYNNWPPRYTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG

Antigen

Chain: F
Mutation: NULL

>5THR_F|Chain D, E, F|BG505 SOSIP gp120|Human immunodeficiency virus 1 (11676)
AENLWVTVYYGVPVWKDAETTLFCASDAKAYETEKHNVWATHACVPTDPNPQEIHLENVTEEFNMWKNNMVEQMHTDIISLWDQSLKPCVKLTPLCVTLQCTNVTNNITDDMRGELKNCSFNMTTELRDKKQKVYSLFYRLDVVQINENQGNRSNNSNKEYRLINCNTSAITQACPKVSFEPIPIHYCAPAGFAILKCKDKKFNGTGPCPSVSTVQCTHGIKPVVSTQLLLNGSLAEEEVMIRSENITNNAKNILVQFNTPVQINCTRPNNNTRKSIRIGPGQAFYATGDIIGDIRQAHCNVSKATWNETLGKVVKQLRKHFGNNTIIRFANSSGGDLEVTTHSFNCGGEFFYCNTSGLFNSTWISNTSVQGSNSTGSNDSITLPCRIKQIINMWQRIGQAMYAPPIQGVIRCVSNITGLILTRDGGSTNSTTETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTRCKRRVVGRRRRRR

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)

L: TRP94

O: ILE52 ILE54 LEU55 VAL57 HIS59 GLU103 ALA104 ASP105 GLU106 GLY107 GLU108 TYR109 ASP110 ASN111

F: CYS119 VAL120 LEU122 ALA200 THR202 GLN203 ALA204 LEU369 ARG419 ILE420 LYS421 GLN422 ILE423 GLN432 MET434 TYR435 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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