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Entry information

Complex
AACDB_ID: 508
PDBID: 3HI1
Chains: HL_G
Organism: Human immunodeficiency virus type 1 (isolate YU2), Homo sapiens
Method: XRD
Resolution (Å): 2.90
Reference: 10.1126/science.1175868
Antibody
Antibody: F105 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 gp120
Antigen mutation: No
Durg Target: P35961; P35961; P12488;

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>3HI1_H|Chain C[auth B], F[auth H]|F105 Heavy Chain|Homo sapiens (9606)
QVQLQESGPGLVKPSETLSLTCTVSGGSISSHYWSWIRQSPGKGLQWIGYIYYSGSTNYSPSLKSRVTISVETAKNQFSLKLTSMTAADTAVYYCARGPVPAVFYGDYRLDPWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS

Light Chain: L
Mutation: NULL

>3HI1_L|Chain B[auth A], E[auth L]|F105 Light Chain|Homo sapiens (9606)
EIVLTQSPGTLSLSAGERATLSCRASQSVSSRYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRVEPEDFAVYYCQQYDNSVCTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: G
Mutation: NULL

>3HI1_G|Chain A[auth G], D[auth J]|Glycoprotein 120|Human immunodeficiency virus type 1 (362651)
TENFNMWKNNMVEQMHEDIISLWDQSLKPCVKLTGGSVITQACPKVSFEPIPIHYCAPAGFAILKCNDKKFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEEIVIRSENFTNNAKTIIVQLNESVVINCTRPNNNTRKSINIGPGRALYTTGEIIGDIRQAHCNLSKTQWENTLEQIAIKLKEQFGNNKTIIFNPSSGGDPEIVTHSFNCGGEFFYCNSTQLFTWNDTRKLNNTGRNITLPCRIKQIINMWQEVGKAMYAPPIRGQIRCSSNITGLLLTRDGGKDTNGTEIFRPGGGDMRDNWRSELYKYKVVKIE

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)

L: SER27 VAL28 SER29 SER30 ARG31 TYR32 SER67 GLY68

H: GLN1 VAL2 GLY26 GLY27 SER28 SER30 SER31 HIS32 TYR52 TYR53 SER54 THR73 ALA74 ARG94 PRO98 ALA99

G: HIS105 ILE108 ILE109 TRP112 PHE210 VAL255 THR257 ASN279 ASN280 ALA281 SER365 GLY366 GLY367 ASP368 PRO369 GLU370 ILE371 SER375 PHE376 PHE382 TYR384 LYS421 ILE424 ASN425 MET426 GLU429 THR455 GLY471 GLY473 ASP474 MET475 ARG476 ASP477

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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