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Entry information

Complex
AACDB_ID: 5159
PDBID: 7UGQ
Chains: GJ_A
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: EM
Resolution (Å): 3.40
Reference: 10.1038/s41467-022-33860-2
Antibody
Antibody: BG24 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 6405-SOSIP.664 envelope glycoprotein- gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: G
Mutation: NULL

>7UGQ_G|Chain G, H, I|BG24 with an inferred germline CDRL1 Fab heavy chain|Homo sapiens (9606)
QVQLVQSRAEVKKPGASVKVSCEASGYNFVDHYIHWVRQAPGQAPQWVGWMNPRGGGVAYSQRFQGRVTMTRDTSIDTAYMQLNRLTSGDTAVYYCATQVKLDSSAGYPFDIWGQGTMVTVSSAS

Light Chain: J
Mutation: NULL

>7UGQ_J|Chain J, K, L|BG24 with an inferred germline CDRL1 Fab light chain|Homo sapiens (9606)
SALTQPRSVSGSPGQSVNISCTGTSSDVGGYNYVSWYQQHPGRAPKLIIYEVNRRPSGVSDRFSGSKSGNTASLTISGLRTEDEADYFCSAFEYFGGGTKLTVLS

Antigen

Chain: A
Mutation: NULL

>7UGQ_A|Chain A, B, C|Envelope glycoprotein gp120|Human immunodeficiency virus 1 (11676)
NLWVTVYYGVPVWKEAKTTLFCASDAKSYAHNIWATHACVPTDPNPQEVELVNVTENFNMWKNDMVDQMHEDIISLWDESLKPCVKLTPLCVTLQCSEMKNGTDRMNCSFNATTVVNDKQKKVHALFYRLDIEPIGNNSTEYMLINCNTSAIAQSCPKITFEPIPIHYCAPAGFALLKCRDKQFNGTGPCTNVSSVQCTHGIKPVVSTQLLLNGSLAEEDIIIRSENLTDNTKTIIVQLNKSIAINCTRPYNNTRQRIHITNDARVIVGDIRQAHCNVSRVDWNNMTQWAATKLGSLYNRSTIIFNHASGGDPEITTHSFTCGGEFFYCNTSGLFNSTWDIMNTSSPNNTDPIITLQCRIKQIINMWQGVGRAIYAPPIAGQILCSSNITGLLLTRDGGADNSSHNETFRPGGGNMKDNWRSELYKYKVVKIEPLGVAPTRCKRRVV

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)

G: VAL30 TYR33 HIS35 TRP47 TRP50 ARG53 GLY54 GLY55 GLY56 VAL57 ALA58 TYR59 SER60 GLN61 ARG62 GLN64 MET69 ARG71 THR73 SER74

J: SER2 ALA3 ASP28 TYR32 PHE93 GLU94 TYR95

A: LYS97 HIS105 ASN197 THR198 GLU275 ASN276 THR278 ASP279 ASN280 THR281 LYS282 THR283 ARG356 SER365 GLY366 GLY367 ASP368 ILE371 TRP427 GLN428 GLY429 VAL430 THR455 ARG456 ASP457 GLY458 ALA459 ASP460 ASN461 ASN465 GLU466 THR467 ARG469 GLY472 GLY473 ASN474

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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