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Entry information

Complex
AACDB_ID: 821
PDBID: 4LSV
Chains: HL_G
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: XRD
Resolution (Å): 3.00
Reference: 10.1016/j.immuni.2013.04.012
Antibody
Antibody: 3BNC117 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 clade C C1086 gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>4LSV_H|Chain B[auth H]|HEAVY CHAIN OF ANTIBODY 3BNC117|Homo sapiens (9606)
QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: L
Mutation: NULL

>4LSV_L|Chain C[auth L]|LIGHT CHAIN OF ANTIBODY 3BNC117|Homo sapiens (9606)
DIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDLKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: G
Mutation: NULL

>4LSV_G|Chain A[auth G]|envelope glycoprotein GP120|Human immunodeficiency virus 1 (11676)
VWKEAKTTLFCASDAKAYEKEVHNVWATHACVPTDPNPQEMVLANVTENFNMWKNDMVEQMHEDIISLWDESLKPCVKLTGGSAITQACPKVSFDPIPLHYCAPAGFAILKCNNKTFNGTGPCRNVSTVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTNNAKTIIVHLNESVNIVCTRPNNGGSGSGGNIRQAHCNINESKWNNTLQKVGEELAKHFPSKTIKFEPSSGGDLEITTHSFNCRGEFFYCNTSDLFNGTYRNGTYNHTGRSSNGTITLQCKIKQIINMWQEVGRAIYAPPIEGEITCNSNITGLLLLRDGGQSNETNDTETFRPGGGDMRDNWRSELYKYKVVEIK

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 PHE33 TRP47 TRP50 LYS53 THR54 GLY55 GLN56 PRO57 ASN58 ASN59 PRO60 ARG61 GLN62 GLN64 SER68 LEU69 TRP71 ASP72 PHE73 GLN95 ASP98

L: ASP1 ILE2 GLN3 TYR32 TYR91 GLU96 PHE97

G: LYS97 THR123 GLY124 GLY198 GLU275 ASN276 THR278 ASN279 ASN280 ALA281 LYS282 THR283 PHE353 PRO354 LYS357 LYS360 GLU362 SER364 SER365 GLY366 GLY367 ASP368 ILE371 VAL430 GLY431 LEU455 ARG456 ASP457 GLY458 GLY459 GLN460 ASN463 THR465 GLU466 THR467 ARG469 PRO470 GLY471 GLY472 GLY473 ASP474 ARG476

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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