Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6345 |
| PDBID: | 8HC2 |
| Chains: | HL_B |
| Organism: | Severe acute respiratory syndrome coronavirus 2, Homo sapiens |
| Method: | EM |
| Resolution (Å): | 6.21 |
| Reference: | 10.1038/s41467-023-36761-0 |
| Antibody | |
| Antibody: | YB9-258 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | SARS-CoV-2 Omicron BA.1 spike glycoprotein |
| Antigen mutation: | Yes |
| Durg Target: | P0DTC2 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >8HC2_H|Chain D[auth H]|Heavy chain of YB9-258 Fab|Homo sapiens (9606) EVQLVESGGGLIQPGGSLRLSCAASGLTVSSNYMHWVRQAPGKGLEWVSVLYAGGSAFYADSVKGRFTISRNNSKNTLYLQMNSLRAEDTAIYYCARGLGDYLDSWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCD |
Light Chain: L
Mutation: NULL
| >8HC2_L|Chain C[auth L]|Light chain of YB9-258 Fab|Homo sapiens (9606) DIQMTQSPSSVSASVGDRVTITCRASQGIGSWLAWYQQKPGKAPQLLIYAASTLQSGVPPRFSGSGSGTDFTLTITSLQPEDFASYYCQQANSVLALTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: B
Mutation: A54V/A80I/F127D/193I/G323D/S355L/S357P/S359F/K401N/N424K/G430S/S461N/T462K/E468A/Q477R/G480S/Q482R/N485Y/Y489H/T531K/D598G/H639Y/N663K/C744K/N748K/P776Y/S797P/A836K/F872P/Q879P/L922P/D934H/Q949K/L961F/S966P/R967P
| >8HC2_B|Chain A, B, E[auth C]|Spike glycoprotein|Severe acute respiratory syndrome coronavirus 2 (2697049) QCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHVISGTNGTKRFDNPVLPFNDGVYFASIEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLDHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPIIVREPEDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFDEVFNATRFASVYAWNRKRISNCVADYSVLYNLAPFFTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNKLDSKVSGNYNYLYRLFRKSNLKPFERDISTEIYQAGNKPCNGVAGFNCYFPLRSYSFRPTYGVGHQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLKGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQGVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEYVNNSYECDIPIGAGICASYQTQTKSRSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLKRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKYFGGFNFSQILPDPSKPSKRSPIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFKGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNHNAQALNTLVKQLSSKFGAISSVLNDIFSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQYIKGSGRENLYFQGGGGSGYIPEAPRDGQAYVRKDGEWVLLSTFLGHHHHHH |
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)
| L: GLN27 GLY28 ILE29 GLY30 SER31 TRP32 TYR49 SER67 GLY68 ALA91 ASN92 SER93 VAL94 H: GLU1 VAL2 GLY26 LEU27 THR28 SER30 SER31 ASN32 TYR33 TYR52 ALA53 GLY54 SER56 PHE58 ARG97 LEU99 GLY100 B: ARG387 ASP389 GLU390 GLN393 GLN398 THR399 GLY400 ASN401 ASP404 TYR405 TYR437 LEU439 PHE440 ARG441 LYS442 SER443 ASN444 TYR457 GLN458 ALA459 GLY460 ASN461 PHE470 ASN471 TYR473 ARG477 SER478 SER480 ARG482 THR484 TYR485 GLY486 VAL487 GLY488 HIS489 |
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)
