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: |
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)