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Entry information

Complex
AACDB_ID: 1429
PDBID: 5IF0
Chains: HL_G
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.44
Reference: 10.1126/science.aad9195
Antibody
Antibody: VRC01cHuGL2 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 gp120 engineered outer domain eOD-GT8
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>5IF0_H|Chain A, D[auth H]|VRC01cHuGL2 Fab heavy chain|Homo sapiens (9606)
QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCAKISGSYSFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: L
Mutation: NULL

>5IF0_L|Chain B, F[auth L]|VRC01c-HuGL2 Fab light chain|Homo sapiens (9606)
DIVMTQSPDSLAVSLGERATINCKSSQSVLYSSNNKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYSFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLRSPVTKSFNRGEC

Antigen

Chain: G
Mutation: NULL

>5IF0_G|Chain C[auth G], E[auth I]|Germline-targeting HIV-1 gp120 engineered outer domain eOD-GT8|Homo sapiens (9606)
DTITLPCRPAPPPHCSSNITGLILTRQGGYSNANTVIFRPSGGDWRDIARCQIAGTVVSTQLFLNGSLAEEEVVIRSEDWRDNAKSICVQLATSVEIACTGAGHCAISRAKWANTLKQIASKLREQYGAKTIIFKPSSGGDPEFVNHSFNCGGEFFYCASTQLFASTWFASTGTGTKHHHHHH

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: GLY31 TYR33 TRP47 TRP50 ASN53 SER54 GLY55 GLY56 THR57 ASN58 TYR59 ALA60 GLN61 LYS62 GLN64 ARG71 TYR99

L: ASP1 ILE2 VAL3 GLN27 TYR32 GLN90 TYR91 TYR96 SER97 PHE98

G: THR25 ARG26 GLN27 GLY28 GLY29 TYR30 SER31 ASN32 THR35 VAL36 ILE37 ARG39 GLY42 GLY43 ASP44 TRP45 ARG46 ASP47 ASP79 ARG81 ASP82 ASN83 ALA84 LYS85 LYS135 SER138 GLY139 GLY140 ASP141 PHE144

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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