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Entry information

Complex
AACDB_ID: 2593
PDBID: 6OFI
Chains: HL_G
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: XRD
Resolution (Å): 3.85
Reference: 10.1128/mBio.00208-20
Antibody
Antibody: CH55 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 clade A/E strain 93TH057 gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6OFI_H|Chain B[auth H]|CH55 Fab heavy chain|Homo sapiens (9606)
QVQLVQSGAEVKKPGASVKVSCKASGYIFISYFMHWVRQAPGQGLEWMGIINPSSGDTRYAQKFQGRVTMTRDTSTNTVYMELSSLRSDDTAVYYCARRPGGLERHNWLDPWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK

Light Chain: L
Mutation: NULL

>6OFI_L|Chain C[auth L]|CH55 Fab light chain|Homo sapiens (9606)
EIVMTQSPATLSVSPGERATLSCRASQSISSNLAWYQQKPGQAPRLLIYGASTRATGTPARFSGSGSGTEFTLTISSLQSEDFASYYCQQYNNWPAITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: G
Mutation: NULL

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

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: SER31 TYR32 PHE33 ILE50 ASP56 ARG58 ARG95 GLY98 LEU99

L: GLU1 ILE2 GLN27 SER28 ILE29 SER30 SER31 ASN32 GLY50 TYR91 ASN92 ASN93 TRP94

G: VAL44 TRP45 PHE53 HIS72 CYS74 VAL75 PRO76 THR77 ASP78 PRO79 ASN80 PRO81 GLN82 ILE84 HIS85 LEU86 THR219 PRO220 ALA221 GLY222 TYR223 VAL224 SER244 VAL245 GLN246 CYS247 ILE491

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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