Complex | |
AACDB_ID: | 1365 |
PDBID: | 5FYL |
Chains: | DE_B |
Organism: | Human immunodeficiency virus 1, Homo sapiens |
Method: | XRD |
Resolution (Å): | 3.10 |
Reference: | 10.1016/j.cell.2016.04.010 |
Antibody | |
Antibody: | 35O22 Fab |
Antibody mutation: | No |
INN (Clinical Trial): | |
Antigen | |
Antigen: | HIV-1 clade A BG505 SOSIP.664 gp120 |
Antigen mutation: | Yes |
Durg Target: |
Antibody
Heavy Chain: D
Mutation: NULL
>5FYL_D|Chain B[auth D]|35O22 ANTIBODY FAB HEAVY CHAIN|HOMO SAPIENS (9606) QGQLVQSGAELKKPGASVKISCKTSGYRFNFYHINWIRQTAGRGPEWMGWISPYSGDKNLAPAFQDRVIMTTDTEVPVTSFTSTGAAYMEIRNLKFDDTGTYFCAKGLLRDGSSTWLPYLWGQGTLLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKGLEVLFQ |
Light Chain: E
Mutation: NULL
>5FYL_E|Chain C[auth E]|35O22 ANTIBODY FAB LIGHT CHAIN|HOMO SAPIENS (9606) QSVLTQSASVSGSLGQSVTISCTGPNSVCCSHKSISWYQWPPGRAPTLIIYEDNERAPGISPRFSGYKSYWSAYLTISDLRPEDETTYYCCSYTHNSGCVFGTGTKVSVLGQSKANPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS |
Antigen
Chain: B
Mutation: I48P/T94C
>5FYL_B|Chain A[auth B]|BG505 GP120 ENV ECTODOMAIN|HUMAN IMMUNODEFICIENCY VIRUS 1 (11676) AVGIGAVFLGFLGAAGSTMGAASMTLTVQARNLLSGIVQQQSNLLRAPEAQQHLLKLTVWGIKQLQARVLAVERYLRDQQLLGIWGCSGKLICCTNVPWNSSWSNRNLSEIWDNMTWLQWDKEISNYTQIIYGLLEESQNQQEKNEQDLLALD |
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)
Chain residues position delta_SASA
: residuesposition D: GLN1 PHE31 TYR32 PHE72 LEU97 ARG98 ASP99 E: TYR49 GLU50 GLU53 ARG54 PRO56 B: GLY527 THR529 ALA532 ARG617 ASN618 SER620 GLU621 ASP624 ASN625 THR627 LEU629 GLN630 LYS633 |
2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.
Interacting residues (Atom distance based)