Details

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Entry information

Complex
AACDB_ID: 1345
PDBID: 5FEC
Chains: HL_I
Organism: Homo sapiens, Human immunodeficiency virus 1
Method: XRD
Resolution (Å): 3.17
Reference: 10.7554/eLife.13783
Antibody
Antibody: 3BNC60 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 426c.TM4deltaV1-3 gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>5FEC_H|Chain A, C[auth H]|germline 3BNC60 heavy chain|Homo sapiens (9606)
QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARERSDFWDFDLWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKHHHHHH

Light Chain: L
Mutation: NULL

>5FEC_L|Chain B, D[auth L]|germline 3BNC60 light chain|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYEFIGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: I
Mutation: NULL

>5FEC_I|Chain E[auth C], F[auth D], G, H[auth I]|426c.TM4deltaV1-3 gp120|Human immunodeficiency virus 1 (11676)
VWKEAKTTLFCASDAKAYEKECHNVWATHACVPTDPNPQEVVLENVTENFNMWKNDMVDQMQEDVISIWDQCLKPCVKLTGGSTLTQACPKVTFDPIPIHYCAPAGYAILKCNQKTFNGKGPCNNVSTVQCTHGIKPVVSTQLLLNGSLAEEEIVIRSKNLRDNAKIIIVQLNKSVEIVCTRPNNGGSGSGGDIRQAYCQISGRQWSEAVNQVKKKLKEHFPHKQISFQSSSGGDLEITTHSFNCGGEFFYCNTSGLFNDTISNATIMLPCRIKQIINMWQEVGKAIYAPPIKGQITCKSDITGLLLLRDGGDTTDNTEIFRPSGGDMRDNWRSELYKYKVVEIKPLHHHHHH

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)

Chain residues position delta_SASA : residuesposition

H: THR30 TYR33 TRP47 TRP50 ASN53 SER54 GLY55 GLY56 THR57 ASN58 TYR59 ALA60 GLN61 LYS62 GLN64 ARG71 GLU95 ASP98

L: GLN3 TYR32 TYR91 GLU92 PHE93

I: LYS275 ASN276 ARG278 ASP279 ASN280 ALA281 LYS282 SER364 GLY365 GLY366 ASP367 ILE370 VAL430 LEU455 ARG456 ASP457 GLY458 GLY459 ASP460 THR461 THR462 THR465 GLU466 ILE467 ARG469 GLY472 GLY473

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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