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Entry information

Complex
AACDB_ID: 648
PDBID: 3SE8
Chains: HL_G
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: XRD
Resolution (Å): 1.90
Reference: 10.1126/science.1207532
Antibody
Antibody: VRC03 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 clade AE strain 93TH057 gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>3SE8_H|Chain B[auth H]|Heavy chain of antibody VRC03|Homo sapiens (9606)
QVQLVQSGAVIKTPGSSVKISCRASGYNFRDYSIHWVRLIPDKGFEWIGWIKPLWGAVSYARQLQGRVSMTRQLSQDPDDPDWGVAYMEFSGLTPADTAEYFCVRRGSCDYCGDFPWQYWCQGTVVVVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: L
Mutation: NULL

>3SE8_L|Chain C[auth L]|Light chain of antibody VRC03|Homo sapiens (9606)
EIVLTQSPGILSLSPGETATLFCKASQGGNAMTWYQKRRGQVPRLLIYDTSRRASGVPDRFVGSGSGTDFFLTINKLDREDFAVYYCQQFEFFGLGSELEVHRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: G
Mutation: NULL

>3SE8_G|Chain A[auth G]|HIV-1 Clade AE strain 93TH057 gp120|Human immunodeficiency virus 1 (11676)
VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLTGGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITMHHFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGGANNTSNETFRPGGGNIKDNWRSELYKYKVVQIE

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: ARG30 HIS35 GLU46 TRP47 TRP50 LEU53 TRP54 GLY55 ALA56 VAL57 SER58 TYR59 ALA60 ARG61 GLN62 GLN64 ARG71 LEU73 SER74 GLN75 ASP99

L: GLU1 ILE2 GLN27 ASN31 PHE91 GLU96 PHE97

G: LYS97 THR123 GLY124 GLY198 SER199 THR257 ASN276 THR278 ASN279 ASN280 ALA281 LYS282 THR283 LYS357 SER365 GLY366 GLY367 ASP368 GLU370 ILE371 HIS375 ASN425 MET426 TRP427 GLY429 THR430 GLY431 THR455 ARG456 ASP457 GLY458 GLY459 ALA460 ASN461 ASN462 THR463 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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