Details

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Entry information

Complex
AACDB_ID: 5143
PDBID: 7UCG
Chains: CF_I
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: EM
Resolution (Å): 3.50
Reference: 10.1126/sciadv.abp8155
Antibody
Antibody: BG24 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 DU422 SOSIP.664 envelope glycoprotein- gp160
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>7UCG_C|Chain B[auth C], H[auth D], N|BG24 CDRH2-v2 Fab heavy chain|Homo sapiens (9606)
QVQLVQSRAEVKKPGASVKVSCEASGYNFVDHYIHWVRQAPGQRPQWVGWMNPQWGQVNYARTFQGRVTMTRDTSIDTAYMQLNRLTSGDTAVYYCATQVKLDSSAGYPFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKHHHHHH

Light Chain: F
Mutation: NULL

>7UCG_F|Chain C[auth E], I[auth F], O|BG24 light chain|Homo sapiens (9606)
QSALTQPRSVSGSPGQSVNISCTGAYSGLGWYQQHPGRAPKLIIYEVNRRPSGVSDRFSGSKSGNTASLTISGLRTEDEADYFCSAFEYFGEGTKLTVLSQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: I
Mutation: NULL

>7UCG_I|Chain D[auth G], J[auth I], P|Envelope glycoprotein gp160|Human immunodeficiency virus 1 (11676)
MDAMKRGLCCVLLLCGAVFVSPSQEIHARFRRGAENLDLWVTVYYGVPVWKEAKTTLFCASDAKAYDKEVRNVWATHACVPTDPNPQEIVLENVTENFNMWKNDMVDQMHEDIISLWDQSLKPCVKLTPLCVTLNCKNVNISANANATATLNSSMNGEIKNCSFNTTTELRDKKQKVYALFYKPDVVPLNGGEHNETGEYILINCNSSTITQACPKVSFDPIPIHYCAPAGYAILKCNNKTFNGTGPCNNVSTVQCTHGIKPVVSTQLLLNGSLAEEEIIVRSENLTNNIKTIIVHLNKSVEINCTRPNNNTRKSVRIGPGQWFYATGEIIGDIREAHCNISRETWNSTLIQVKEKLREHYNKTIKFEPSSGGDLEVTTHSFNCRGEFFYCNTTKLFNETKLFNESEYVDNKTIILPCRIKQIINMWQEVGRAMYAPPIEGNITCKSNITGLLLTWDGGENSTEGVFRPGGGNMKDNWRSELYKYKVVEIKPLGVAPTKCKRKVVGR

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)

C: VAL30 TYR33 HIS35 TRP47 TRP50 PRO53 GLN54 TRP55 GLY56 GLN57 VAL58 ASN59 TYR60 ALA61 ARG62 THR63 GLN65 ARG72 THR74 SER75 SER105 ALA106 GLY107 TYR108

F: TYR26 PHE87 GLU88 TYR89

I: LYS97 SER198 GLU275 ASN276 THR278 ASN279 ASN280 ILE281 LYS282 THR283 GLU360 SER363 GLY364 GLY365 ASP366 GLU368 VAL369 ASN423 MET424 TRP425 GLN426 VAL428 THR453 TRP454 ASP455 GLY456 GLY457 GLU458 ASN459 GLU462 VAL464 ARG466 GLY468 GLY469 GLY470 ASN471 MET472

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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