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Entry information

Complex
AACDB_ID: 2124
PDBID: 6CRQ
Chains: JL_F
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: EM
Resolution (Å): 4.20
Reference: 10.1371/journal.ppat.1006986
Antibody
Antibody: PGV04 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 BG505 SOSIP.664 gp160
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: J
Mutation: NULL

>6CRQ_J|Chain C[auth D], G[auth I], K[auth J]|PGV04 VH|Homo sapiens (9606)
QVQLVQSGSGVKKPGASVRVSCWTSEDIFERTELIHWVRQAPGQGLEWIGWVKTVTGAVNFGSPDFRQRVSLTRDRDLFTAHMDIRGLTQGDTATYFCARQKFYTGGQGWYFDLWGRGTLIVVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: L
Mutation: NULL

>6CRQ_L|Chain D[auth E], H[auth K], L|PGV04 VL|Homo sapiens (9606)
EIVLTQSPGTLSLSPGETASLSCTAASYGHMTWYQKKPGQPPKLLIFATSKRASGIPDRFSGSQFGKQYTLTITRMEPEDFARYYCQQLEFFGQGTRLEIRRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: F
Mutation: NULL

>6CRQ_F|Chain A, E[auth B], I[auth F]|Envelope glycoprotein gp160|Human immunodeficiency virus 1 (11676)
ENLWVTVYYGVPVWKDAETTLFCASDAKAYETEKHNVWATHACVPTDPNPQEIHLENVTEEFNMWKNNMVEQMHTDIISLWDQSLKPCVKLTPLCVTLQCTNVTNAITDDMRGELKNCSFNMTTELRDKKQKVYSLFYRLDVVQINENQGNRSNNSNKEYRLINCNTSAITQACPKVSFEPIPIHYCAPAGFAILKCKDKKFNGTGPCPSVSTVQCTHGIKPVVSTQLLLNGSLAEEEVMIRSENITNNAKNILVQFNTPVQINCTRPNNNTRKSIRIGPGQAFYATGDIIGDIRQAHCNVSKATWNETLGKVVKQLRKHFGNNTIIRFANSSGGDLEVTTHSFNCGGEFFYCNTSGLFNSTWISNTSVQGSNSTGSNDSITLPCRIKQIINMWQRIGQAMYAPPIQGVIRCVSNITGLILTRDGGSTNSTTETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTRCKRRVVGRRRRRR

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: LEU34 TRP47 TRP50 VAL52 THR53 GLY54 ALA55 VAL56 ASN57 PHE58 GLY59 SER60 PRO61 ARG64 ARG71 ARG73 ASP74 GLN95 TYR98 THR99

L: SER27 TYR30 LEU91 GLU96 PHE97

F: LYS97 GLU275 ASN276 THR278 ASN279 ASN280 ALA281 LYS282 ASN283 ARG360 SER365 GLY366 GLY367 ASP368 VAL371 GLN428 ILE430 THR455 ARG456 ASP457 GLY458 GLY459 SER460 ARG469 GLY471 GLY472 GLY473 ASP474

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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