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Entry information

Complex
AACDB_ID: 1915
PDBID: 5WB9
Chains: HL_G
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: XRD
Resolution (Å): 2.40
Reference: 10.1016/j.cell.2018.03.061
Antibody
Antibody: N60P23 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

>5WB9_H|Chain B[auth H]|N60P23 Fab heavy chain|Homo sapiens (9606)
QIELVQSGTEVKRPGASVRISCASSGYRFTNYFIHWVRQAPGRGLEWMGWMNPLHGGVNYSGRFQGRVTMTRDIYTETSFMVLSGLRSDDSAIYFCTRGRDGYDDGFHPWGQGTLVTVTAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTH

Light Chain: L
Mutation: NULL

>5WB9_L|Chain C[auth L]|N60P23 Fab light chain|Homo sapiens (9606)
CFVQSQSPSTLYASVGDKITITCRSSQSGWKAWYQQKPGKAPKLLIYKSSILETGVPSRFIGSDSGTEFTLTISSLQPDDFATYYCQHFETFGQGTRVQVRRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: G
Mutation: NULL

>5WB9_G|Chain A[auth G]|clade A/E 93TH057 HIV-1 gp120 core|Human immunodeficiency virus 1 (11676)
VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLTGGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITMHSFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGGANNTSNETFRPGGGNIKDNWRSELYKYKVVQIE

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: PHE33 TRP47 TRP50 ASN52 LEU54 HIS55 GLY56 GLY57 VAL58 ASN59 TYR60 SER61 GLY62 ARG63 GLN65 ARG72 ILE74 TYR75 ASP101 GLY102 TYR103 ASP104

L: GLN27 SER28 GLY29 TRP30 PHE89 GLU90 THR91

G: THR123 GLU275 ASN276 THR278 ASN279 ASN280 ALA281 LYS282 ASN354 SER365 GLY366 GLY367 ASP368 ILE371 ASN425 TRP427 THR430 GLY431 GLN432 THR455 ARG456 ASP457 GLY458 GLY459 ASN461 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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