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Entry information

Complex
AACDB_ID: 3014
PDBID: 6VLW
Chains: HL_G
Organism: Homo sapiens, Human immunodeficiency virus 1
Method: XRD
Resolution (Å): 3.42
Reference: 10.1016/j.immuni.2020.09.007
Antibody
Antibody: VRC01 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

>6VLW_H|Chain A[auth H]|VRC01 Fab Heavy Chain|Homo sapiens (9606)
QVQLVQSGGQMKKPGESMRISCRASGYEFIDCTLNWIRLAPGKRPEWMGWLKPRGGAVNYARPLQGRVTMTRDVYSDTAFLELRSLTVDDTAVYFCTRGKNCDYNWDFEHWGRGTPVIVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKT

Light Chain: L
Mutation: NULL

>6VLW_L|Chain B[auth L]|VRC01 Fab Light Chain|Homo sapiens (9606)
EIVLTQSPGTLSLSPGETAIISCRTSQYGSLAWYQQRPGQAPRLVIYSGSTRAAGIPDRFSGSRWGPDYNLTISNLESGDFGVYYCQQYEFFGQGTKVQVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: G
Mutation: NULL

>6VLW_G|Chain C[auth G]|426cOD|Human immunodeficiency virus 1 (11676)
TISNATIMLPCRPAPPPHCKSNITGLLLLRDGGDTINNTEIFRPSGGDEDAQWCMERLGIPSSVVSTQLLLNGSLAEEEIVIRSKDLSDNAKTICVQLQKSVEIVCTGAGYCQISGRNWSEAVNQVKKKLKEHFPHKNISFQSSSGGDLEITTHSFNCGGEFFYCNTSGLFQDGSGSGHHHHHHGLNDIFEAQKIEWHE

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: ILE30 ASP31 CYS32 THR33 TRP47 TRP50 ARG53 GLY54 GLY55 ALA56 VAL57 ASN58 TYR59 ALA60 ARG61 PRO62 GLN64 ARG71 CYS98 ASP99

L: GLU1 ILE2 GLN27 TYR28 TYR91 GLU96 PHE97

G: LEU29 ARG30 ASP31 GLY32 GLY33 ASP34 THR35 ILE36 THR39 GLU40 ILE41 ARG43 ASP48 GLU49 ASP86 SER88 ASP89 ASN90 ALA91 LYS92 LYS137 SER145 GLY146 GLY147 ASP148 ILE151

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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