Complex | |
AACDB_ID: | 3912 |
PDBID: | 7KEW |
Chains: | HK_B |
Organism: | Bundibugyo virus, Homo sapiens |
Method: | EM |
Resolution (Å): | 4.16 |
Reference: | 10.1016/j.celrep.2021.108984 |
Antibody | |
Antibody: | BDBV-43 Fab |
Antibody mutation: | No |
INN (Clinical Trial): | |
Antigen | |
Antigen: | Bundibugyo virus spike glycoprotein 1 |
Antigen mutation: | No |
Durg Target: |
Antibody
Heavy Chain: H
Mutation: NULL
>7KEW_H|Chain B[auth G], F[auth H], J[auth I]|BDBV-43 Fab heavy chain|Homo sapiens (9606) MELGLRWVFLVAILEGVQCQVQLVQSGAEVKKPGSSVKVSCRASGDSFSRKYGISWVRQAPGQGFEWMGTIMPIVGLTTSAQKFQGRVTITADKSTSTAHMELNSLTSEDTAIYYCARDEIIGARPHWFDSWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCD |
Light Chain: K
Mutation: NULL
>7KEW_K|Chain C[auth J], G[auth K], K[auth L]|BDBV-43 Fab light chain|Homo sapiens (9606) MGWSCIILFLVATATGVHEIVMTQSPAIMSVSPGKRATLSCRASQSVSSNLAWYQRKPGQAPRLLIYGSSTRATGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCLQYYNWPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: B
Mutation: NULL
>7KEW_B|Chain A, E[auth B], I[auth C]|Spike glycoprotein 1|Bundibugyo ebolavirus (565995) MVTSGILQLPRERFRKTSFFVWVIILFHKVFPIPLGVVHNNTLQVSDIDKLVCRDKLSSTSQLKSVGLNLEGNGVATDVPTATKRWGFRAGVPPKVVNYEAGEWAENCYNLDIKKADGSECLPEAPEGVRGFPRCRYVHKVSGTGPCPEGYAFHKEGAFFLYDRLASTIIYRSTTFSEGVVAFLILPETKKDFFQSPPLHEPANMTTDPSSYYHTVTLNYVADNFGTNMTNFLFQVDHLTYVQLEPRFTPQFLVQLNETIYTNGRRSNTTGTLIWKVNPTVDTGVGEWAFWENKKNFTKTLSSEELSVIFVPIDISESTEPGPLTNTTRGAANLLTGSRRTRR |
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: ARG31 LYS32 TRP47 THR50 ILE53 VAL54 GLY55 LEU56 THR57 THR58 GLN64 ILE69 THR70 ILE97 ILE98 GLY99 K: GLU1 ASN32 TYR92 ASN93 TRP94 B: ASP237 LEU239 THR240 VAL242 LEU256 THR259 ILE260 TYR261 THR262 ASN263 GLY264 ARG265 SER267 ASN268 THR269 THR270 GLY271 THR272 LEU273 ILE274 TRP275 LYS276 VAL277 ASN278 |
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)