Complex | |
AACDB_ID: | 2693 |
PDBID: | 6PCI |
Chains: | IL_B |
Organism: | Ebola virus, Homo sapiens, Zaire ebolavirus |
Method: | EM |
Resolution (Å): | 4.12 |
Reference: | 10.1016/j.immuni.2020.01.001 |
Antibody | |
Antibody: | rEBOV-548 Fab |
Antibody mutation: | No |
INN (Clinical Trial): | |
Antigen | |
Antigen: | Ebola Virus Virion spike glycoprotein |
Antigen mutation: | No |
Durg Target: | Q05320 |
Antibody
Heavy Chain: I
Mutation: NULL
>6PCI_I|Chain B[auth H], H[auth I], N[auth J]|rEBOV-548 Fab heavy chain|Homo sapiens (9606) QVQVEESGGGVVQPGGSLRLSCAASGFMFSNYGMHWVRQAPGKGLEWMAFIRYDDSKKFYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTALYYCAKELLQVYTSAWGEGHSYYYALDVWGLGTAVTVSSASFKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC |
Light Chain: L
Mutation: NULL
>6PCI_L|Chain C[auth K], I[auth L], O[auth M]|rEBOV-548 Fab light chain|Homo sapiens (9606) DIQMTQSPSSVSASVGDRVTITCRASQDISNWLAWYQQKPGKAPELLIYTASILQSGVSSRFSGSGSGTDFTLTISSLQPEDSATYYCQQGKSFPYTFGQGTKLEIKRTAAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: B
Mutation: NULL
>6PCI_B|Chain A, G[auth B], M[auth C]|Virion spike glycoprotein|Ebola virus (1570291) SIPLGVIHNSTLQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSVTKRWGFRSGVPPKVVNYEAGEWAENCYNLEIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPCAGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILPQAKKDFFSSHPLREPVNATEDPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYASGKRSNTTGKLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFT |
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)
I: ARG52 TYR53 ASP54 LYS57 TYR104 THR105 SER106 ALA107 TRP108 GLY109 GLU110 GLY111 HIS112 SER113 TYR114 TYR115 TYR116 L: GLN27 ASN31 TRP32 TYR49 THR50 SER52 ILE53 GLY91 LYS92 SER93 PHE94 B: LYS114 PRO116 ASP117 GLY118 GLU229 LEU239 VAL242 LEU256 THR259 ILE260 LYS265 ARG266 ASN268 THR269 THR270 GLY271 LYS272 LEU273 ILE274 TRP275 LYS276 VAL277 ASN278 PRO279 ILE281 |
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)