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Entry information

Complex
AACDB_ID: 3013
PDBID: 6VLR
Chains: DK_H
Organism: Human immunodeficiency virus 1, Homo sapiens, Macaca mulatta
Method: EM
Resolution (Å): 4.42
Reference: 10.1371/journal.ppat.1008753
Antibody
Antibody: PGT122 Fv
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 BG505 SOSIPv5.2 gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: D
Mutation: NULL

>6VLR_D|Chain G[auth C], I[auth D], K[auth E]|PGT122 Fab Heavy Chain|Homo sapiens (9606)
QVHLQESGPGLVKPSETLSLTCNVSGTLVRDNYWSWIRQPLGKQPEWIGYVHDSGDTNYNPSLKSRVHLSLDKSKNLVSLRLTGVTAADSAIYYCATTKHGRRIYGVVAFKEWFTYFYMDVWGKGTSVTVSS

Light Chain: K
Mutation: NULL

>6VLR_K|Chain H[auth K], J[auth L], L[auth M]|PGT122 Fab Light Chain|Homo sapiens (9606)
TFVSVAPGQTARITCGEESLGSRSVIWYQQRPGQAPSLIIYNNNDRPSGIPDRFSGSPGSTFGTTATLTITSVEAGDEADYYCHIWDSRRPTNWVFGEGTTLIVLS

Antigen

Chain: H
Mutation: NULL

>6VLR_H|Chain A, C[auth G], E[auth H]|Envelope glycoprotein gp120|Human immunodeficiency virus 1 (11676)
AENLWVTVYYGVPVWKDAETTLFCASDAKAYETKKHNVWATHCCVPTDPNPQEIHLENVTEEFNMWKNNMVEQMHTDIISLWDQSLKPCVKLTPLCVTLQCTNVTNNITDDMRGELKNCSFNMTTELRDKKQKVYSLFYRLDVVQINENQGNRSNNSNKEYRLINCNTSAITQACPKVSFEPIPIHYCAPAGFAILKCKDKKFNGTGPCPSVSTVQCTHGIKPVVSTQLLLNGSLAEEEVMIRSENITNNAKNILVQFNTPVQINCTRPNNNTRKSIRIGPGQWFYATGDIIGDIRQAHCNVSKATWNETLGKVVKQLRKHFGNNTIIRFANSSGGDLEVTTHSFNCGGEFFYCNTSGLFNSTWISNTSVQGSNSTGSNDSITLPCRIKQIINMWQRIGQAMYAPPIQGVIRCVSNITGLILTRDGGSTNSTTETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTRCKRRVVG

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)

K: LEU28 GLY29 SER30 PHE67 ASP92 SER93 ARG94

H: VAL134 THR135 ASN136 ASN137 ILE151 ASP322 ILE323 GLY324 ASP325 ILE326 ARG327 GLN328 HIS330 THR415 PRO417

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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