Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 1040 |
| PDBID: | 4XAK |
| Chains: | ED_B |
| Organism: | Betacoronavirus England 1, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.45 |
| Reference: | 10.1038/ncomms9223 |
| Antibody | |
| Antibody: | m336 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | MERS Co-V RBD |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: E
Mutation: NULL
| >4XAK_E|Chain C[auth E], F[auth L]|Light chain of neutralizing antibody m336|Homo sapiens (9606) DIQLTQSPSSLSASVGDRVTITCRASQGIRNDLGWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQLNSYPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Light Chain: D
Mutation: NULL
| >4XAK_D|Chain B[auth D], E[auth H]|Heavy chain of neutralizing antibody m336|Homo sapiens (9606) QVQLVQSGAEVKKPGSSVKVSCKASGGTFSSYAISWVRQAPGQGLEWMGGIIPIFGTASYAQKFQGRVTITADKSTSTAYMELSSLRSEDTAVYYCARVGYCSSTSCNRGAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTSGQAGHHHHHHGDYKDDDDKG |
Antigen
Chain: B
Mutation: NULL
| >4XAK_B|Chain A, D[auth B]|Spike glycoprotein|Human coronavirus EMC (1263720) EAKPSGSVVEQAEGVECDFSPLLSGTPPQVYNFKRLVFTNCNYNLTKLLSLFSVNDFTCSQISPAAIASNCYSSLILDYFSYPLSMKSDLSVSSAGPISQFNYKQSFSNPTCLILATVPHNLTTITKPLKYSYINKCSRFLSDDRTEVPQLVNANQYSPCVSIVPSTVWEDGDYYRKQLSPLEGGGWLVASGSTVAMTEQLQMGFGITVQYGTDTNSVCPKLEFANDTKIASQLGGSLEVLFQGPGHHHHHH |
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)
| D: THR28 SER30 SER31 TYR32 ALA33 ILE53 PHE54 THR56 LYS73 SER74 VAL95 GLY96 CYS98 E: ARG30 ASN92 SER93 TYR94 B: LYS502 SER504 PHE506 ASP510 ARG511 GLU513 PRO531 TRP535 GLU536 GLY538 ASP539 TYR540 TYR541 ARG542 TRP553 VAL555 ALA556 SER557 |
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)
