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Entry information

Complex
AACDB_ID: 4218
PDBID: 7LX2
Chains: NM_B
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: EM
Resolution (Å): 3.12
Reference: 10.1038/s41541-023-00696-w
Antibody
Antibody: PGT122 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 envelope glycoprotein -gp160
Antigen mutation: No
Durg Target: P00750

Sequence information

Antibody

Heavy Chain: N
Mutation: NULL

>7LX2_N|Chain C[auth H], F[auth N], I[auth P]|PGT122 Fab heavy chain|Homo sapiens (9606)
QVHLQESGPGLVKPSETLSLTCNVSGTLVRDNYWSWIRQPLGKQPEWIGYVHDSGDTNYNPSLKSRVHLSLDKSKNLVSLRLTGVTAADSAIYYCATTKHGRRIYGVVAFKEWFTYFYMDVWGKGTSVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC

Light Chain: M
Mutation: NULL

>7LX2_M|Chain B[auth L], E[auth M], H[auth O]|PGT122 Fab light chain|Homo sapiens (9606)
APTFVSVAPGQTARITCGEESLGSRSVIWYQQRPGQAPSLIIYNNNDRPSGIPDRFSGSPGSTFGTTATLTITSVEAGDEADYYCHIWDSRRPTNWVFGEGTTLIVLSQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: B
Mutation: NULL

>7LX2_B|Chain A, D[auth B], G[auth C]|Env glycoprotein gp160|Human immunodeficiency virus 1 (11676)
MDAMKRGLCCVLLLCGAVFVSPSQEIHARFRRGARSRVENLWVTVYYGVPVWKDAETTLFCASDAKAYDTEKRNVWATHACVPTDPNPQEIVLENVTENFNMWKNNMVEQMHTDIISLWDQSLKPCVKLTPLCVTLNCTNVNVTNTTNNTEEKGEIKNCSFNITTELRDKKKKVYALFYRLDVVPIDDNNNNSSNYRLINCNTSAITQACPKVSFEPIPIHYCAPAGFAILKCNDKKFNGTGPCKNVSTVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENITNNAKTIIVQLNESVEINCTRPNNNTRKSIRIGPGQWFYATGDIIGDIRQAHCNISGTKWNKTLQQVVKKLREHFNNKTIIFNPSSGGDLEITTHSFNCGGEFFYCNTSGLFNSTWIGNGTKNNNNTNDTITLPCRIKQIINMWQRVGQPMYAPPIQGKIRCVSNITGLLLTRDGGNNNTNETETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTRCKRRVVEGGGGGSGGGGSAVGIGAVFLGFLGAAGSTMGAASMTLTVQARNLLSGGSGSGSGSTVWGIKQLQARVLAVERYLRDQQLLGIWGCSGKLICCTNVPWNSSWSNKSQDEIWDNMTWMEWDKEINNYTDIIYSLIEESQNQQEKNEQDLLALD

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)

Chain residues position delta_SASA : residuesposition

M: LEU28 GLY29 SER30 PHE67 SER93 ARG94

B: VAL134 ASN135 VAL136 THR137 ASN138 ASP321 ILE322 ILE323 GLY324 ASP325 ILE326 ARG327 GLN328 HIS330 THR415 PRO417

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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