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Entry information

Complex
AACDB_ID: 3907
PDBID: 7KEJ
Chains: HK_B
Organism: Ebola virus, Homo sapiens, Zaire ebolavirus
Method: EM
Resolution (Å): 3.80
Reference: 10.1016/j.celrep.2021.108984
Antibody
Antibody: BDBV-289 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Ebola virus Virion spike glycoprotein
Antigen mutation: No
Durg Target: Q05320; P00750;

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7KEJ_H|Chain B[auth G], F[auth H], J[auth I]|Antibody Fab heavy chain (HC) BDBV-289|Homo sapiens (9606)
MELGLRWVFLVAILEGVQCQVQLVQSGAEVKKPGSSVKVSCKASGATFGSDTVTWVRQAPGQGLEWMGGIIPFFGEANYAQRFQGRVTITADKSTNTAYMELSSLRSEDTAVYFCARQINEMATFGEIHYYTYMDVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCD

Light Chain: K
Mutation: NULL

>7KEJ_K|Chain C[auth J], G[auth K], K[auth L]|Antibody Fab light chain (LC) BDBV-289|Homo sapiens (9606)
MGWSCIILFLVATATGVHGSELTQDPAVSVALGQTVRITCQGDSLRNYYASWYQQKPRQAPVLVFYGKNNRPSGIPDRFSGSSSGNTASLTISGAQAEDEADYYCNSRDSSSNHLVFGGGTKLTVLSQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTEC

Antigen

Chain: B
Mutation: NULL

>7KEJ_B|Chain A, E[auth B], I[auth C]|Virion spike glycoprotein|Ebola virus (1570291)
MDAMKRGLCCVLLLCGAVFVSPSQEIHARFRRGARSIPLGVIHNSTLQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSVTKRWGFRSGVPPKVVNYEAGEWAENCYNLEIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPCAGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILPQAKKDFFSSHPLREPVNATEDPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYASGKRSNTTGKLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFT

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

H: THR28 GLY30 SER31 ASP32 ILE52 PHE54 PHE55 GLU57 ASN59 LYS74 ILE100 ASN101 GLU102 MET103 ALA104 THR105 PHE106 GLY107 ILE109 TYR111 TYR112 THR113

K: ASN29 TYR30 ASN52 ARG90 SER92 SER93 SER94 ASN95

B: GLN221 ALA222 THR223 GLU229 GLU231 LEU233 TYR241 GLN243 PHE252 LEU256 THR259 ILE260 SER263 LYS265 ARG266 SER267 ASN268 THR269 THR270 GLY271 LYS272 LEU273 ILE274 TRP275 LYS276 VAL277 ASN278 PRO279 GLU280 ILE281 ASP282

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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