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Entry information

Complex
AACDB_ID: 2469
PDBID: 6MG7
Chains: HL_G
Organism: Human immunodeficiency virus 1, synthetic construct, Homo sapiens
Method: XRD
Resolution (Å): 2.91
Reference: 10.1128/mBio.00208-20
Antibody
Antibody: CH54 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 clade A/E 93TH057 gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6MG7_H|Chain C[auth H]|CH54 Fab heavy chain|Homo sapiens (9606)
QVQLVQSGPEVKKPGTSMKISCKASGFTFTRSTMQWVRQARGQRLEWIGWIVVGSGNTNYAQKFQERVTITRDMSTSTAYMELSSLRSEDTAVYYCAAAPVGPTSSDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK

Light Chain: L
Mutation: NULL

>6MG7_L|Chain D[auth L]|CH54 Fab light chain|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCRASQSIINYLNWYQQKPGRAPKLLIYAASSLLSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPYTFGQGTKLEIKGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT

Antigen

Chain: G
Mutation: NULL

>6MG7_G|Chain A[auth G]|clade A/E 93TH057 HIV-1 gp120 core|Human immunodeficiency virus 1 (11676)
SDNLWVTVYYGVPVWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLTGGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITMHSFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGGANNTSNETFRPGGGNIKDNWRSELYKYKVVQIEPLGIAPTKAKRRVVQREKR

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)

H: VAL2 GLY26 PHE27 THR28 ARG31 TRP50 GLY53 SER54 ASN56 THR57 ASN58 GLN61 PRO96 VAL97 GLY98 PRO99 SER100

L: GLN27 SER28 ILE30 ASN31 TYR32 TYR49 ALA50 LEU55 TYR92 SER93 THR94 TYR96

G: VAL44 TRP45 PHE53 VAL75 PRO76 ASP78 PRO79 ASN80 GLN82 GLU83 ILE84 HIS85 LEU86 GLU87 ASN88 VAL89 THR219 PRO220 ALA221 GLY222 TYR223 VAL224 SER244 VAL245 GLN246 ILE491 GLU492 PRO493 LEU494 GLY495

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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