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Entry information

Complex
AACDB_ID: 949
PDBID: 4RWY
Chains: HL_A
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: XRD
Resolution (Å): 2.13
Reference: 10.1016/j.cell.2015.05.007
Antibody
Antibody: 8ANC131 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 clade B YU2 gp120
Antigen mutation: No
Durg Target: P35961

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>4RWY_H|Chain B[auth H]|Antibody 8ANC131 Heavy chain|Homo sapiens (9606)
QGQLVQSGGGLKKPGTSVTISCLASEYTFNEFVIHWIRQAPGQGPLWLGLIKRSGRLMTAYNFQDRLSLRRDRSTGTVFMELRGLRPDDTAVYYCARDGLGEVAPDYRYGIDVWGQGSTVIVTSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKAEPKSC

Light Chain: L
Mutation: NULL

>4RWY_L|Chain C[auth L]|Antibody 8ANC131 Light chain|Homo sapiens (9606)
EIVLTQSPATLSLSPGERATLSCRASQGLNFVVWYQQKRGQAPRLLIHAPSGRAPGVPDRFSARGSGTEFSLVISSVEPDDFAIYYCQEYSSTPYNFGPGTRVDRKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLRSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>4RWY_A|Chain A|HIV-1 YU2 gp120|Human immunodeficiency virus 1 (11676)
MPMGSLQPLATLYLLGMLVASVLAVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEVKLENVTENFNMWKNNMVEQMHEDIISLWDQSLKPCVKLTGGSVITQACPKVSFEPIPIHYCAPAGFAILKCNDKKFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEEIVIRSENFTNNAKTIIVQLNESVVINCTRPNNGGSGSGGDIRQAHCNLSKTQWENTLEQIAIKLKEQFGNNKTIIFNPSSGGDPEIVTHSFNCGGEFFYCNSTQLFTWNDTRKLNNTGRNITLPCRIKQIINMWQEVGKAMYAPPIRGQIRCSSNITGLLLTRDGGKDTNGTEIFRPGGGDMRDNWRSELYKYKVVKIE

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: GLU26 PHE29 ASN30 GLU31 LYS52 ARG53 SER54 GLY55 ARG56 LEU57 MET58 THR59 TYR61 ARG71 ARG73 SER74 THR75 GLY76 LEU97 GLY98 GLU99

L: GLU1 ASN31 TYR91 SER92 SER93 THR94 PRO95 TYR96

A: TRP96 LYS97 ASN98 ASN99 GLU102 LEU122 GLY124 GLU275 ASN276 THR278 ASN279 ASN280 ALA281 LYS282 THR283 SER365 GLY366 GLY367 ASP368 ILE371 ASN425 MET426 TRP427 GLN428 GLU429 VAL430 GLY431 LYS432 THR455 ARG456 ASP457 GLY459 LYS460 ASP461 GLY472 GLY473 ASP474 ARG476 ARG480

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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