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Entry information

Complex
AACDB_ID: 948
PDBID: 4RQS
Chains: DC_G
Organism: Homo sapiens, Human immunodeficiency virus type 1 (isolate YU2)
Method: XRD
Resolution (Å): 4.49
Reference: 10.1002/prot.24747
Antibody
Antibody: 17b Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 YU2 gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: D
Mutation: NULL

>4RQS_D|Chain C[auth D]|17b Fab Heavy Chain|Homo sapiens (9606)
EVQLVESGAEVKKPGSSVKVSCKASGDTFIRYSFTWVRQAPGQGLEWMGRIITILDVAHYAPHLQGRVTITADKSTSTVYLELRNLRSDDTAVYFCAGVYEGEADEGEYDNNGFLKHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK

Light Chain: C
Mutation: NULL

>4RQS_C|Chain B[auth C]|17b Fab Light Chain|Homo sapiens (9606)
DIVMTQSPATLSVSPGERATLSCRASESVSSDLAWYQQKPGQAPRLLIYGASTRATGVPARFSGSGSGAEFTLTISSLQSEDFAVYYCQQYNNWPPRYTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG

Antigen

Chain: G
Mutation: NULL

>4RQS_G|Chain D[auth G]|HIV-1 YU2 gp120 core chimeric protein|Human immunodeficiency virus type 1 (isolate YU2) (362651)
GARSEVKLENVTENFNMWKNNMVEQMHEDIISLWDQSLKPCVKLTPLCVGAGSCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNDKKFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEEIVIRSENFTNNAKTIIVQLNESVVINCTGAGHCNLSKTQWENTLEQIAIKLKEQFGNNKTIIFNPSSGGDPEIVTHSFNCGGEFFYCNSTQLFTWNDTRKLNNTGRNITLPCRIKQIINMWQEVGKAMYAPPIRGQIRCSSNITGLLLTRDGGKDTNGTEIFRPGGGDMRDNWRSELYKYKVVKIE

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)

C: TRP94

D: ILE53 LEU54 VAL56 HIS58

G: CYS119 VAL120 LEU122 VAL200 THR202 GLN203 ALA204 CYS205 ARG419 ILE420 LYS421 GLN422 ILE423 ALA433 MET434 ALA436 PRO437

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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