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Entry information

Complex
AACDB_ID: 1424
PDBID: 5I9Q
Chains: HL_G
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: XRD
Resolution (Å): 3.00
Reference: 10.7554/eLife.13783
Antibody
Antibody: 3BNC55 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: 426c.TM4dV1-3 p120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>5I9Q_H|Chain C[auth B], E[auth H]|3BNC55 Fab heavy chain|Homo sapiens (9606)
QVQLVQSGTAVKRPGASVRVSCQASGYTFTDYFIYWWRQAPGQGLEWLGWINPLTSQPSYPSRFQGRLTLTRDTFDEMLYMDLRGLRSDDTGIYFCARRHSDYCDFDIWGSGTQIIVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKT

Light Chain: L
Mutation: NULL

>5I9Q_L|Chain D[auth C], F[auth L]|3BNC55 light chain|Homo sapiens (9606)
DIQMTQSPSSLSASVGDKVTITCQTSAGYLNWYQQRRGRAPKLLMYDGSRLVTGVPSRFSGRRWGTQYNLTIGSLQPEDIATYYCQVYEFFGPGTRLDLKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: G
Mutation: NULL

>5I9Q_G|Chain A, B[auth G]|426c.TM4dV1-3 p120|Human immunodeficiency virus 1 (11676)
VWKEAKTTLFCASDAKAYEKECHNVWATHACVPTDPNPQEVVLEQVTENFNMWKNDMVDQMQEDVISIWDQCLKPCVKLTNTSTLTQACPKVTFDPIPIHYCAPAGYAILKCNNKTFNGKGPCNNVSTVQCTHGIKPVVSTQLLLNGSLAEEEIVIRSKNLRDNAKIIIVQLQKSVEIVCTRPNNGGSGSGGDIRQAYCQISGRNWSEAVNQVKKKLKEHFPHKNISFQSSSGGDLEITTHSFNCGGEFFYCNTSGLFQDTISNATIMLPCRIKQIINMWQEVGKAIYAPPIKGQITCKSDITGLLLLRDGGDTTDNTEIFRPSGGDMRDNWRSELYKYKVVEIKPLHHHHHH

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: THR30 PHE33 TYR35 TRP47 TRP50 LEU53 THR54 SER55 GLN56 PRO57 SER58 TYR59 PRO60 SER61 GLN64 ARG71 ARG95 ASP98

L: ASP1 ILE2 GLY28 TYR29 TYR88 GLU89 PHE90

G: LEU122 THR123 ASN197 LYS275 ASN276 ARG278 ASP279 ASN280 ALA281 LYS282 LYS356 SER363 SER364 GLY365 GLY366 ASP367 ILE370 VAL430 GLY431 LYS432 LEU455 ARG456 ASP457 GLY458 GLY459 ASP460 THR461 THR462 GLU466 ILE467 ARG469 PRO470 SER471 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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