Complex | |
AACDB_ID: | 5314 |
PDBID: | 7WE7 |
Chains: | JM_E |
Organism: | Homo sapiens, Severe acute respiratory syndrome coronavirus 2 |
Method: | EM |
Resolution (Å): | 3.80 |
Reference: | 10.1038/s41586-022-04466-x |
Antibody | |
Antibody: | XGv282 Fab |
Antibody mutation: | No |
INN (Clinical Trial): | |
Antigen | |
Antigen: | SARS-CoV-2 Omicron variant spike glycoprotein |
Antigen mutation: | Yes |
Durg Target: | P0DTC2 |
Antibody
Heavy Chain: J
Mutation: NULL
>7WE7_J|Chain A[auth H], F[auth J], H[auth K]|Heavy chain of Fab 282|Homo sapiens (9606) VQLVQSGAEVKKPGSSVKVSCKASGDTFSSYTFSWVRQAPGQGLEWMGRSIPIVGKAIYAQEFQGRVTISADRSTTTVYMELSSLRSDDTAVYYCARDQSGFDFFYYDHWGQGTLVAV |
Light Chain: M
Mutation: NULL
>7WE7_M|Chain B[auth L], G[auth M], I[auth N]|The light chain of Fab 282|Homo sapiens (9606) QSVLTQPPSASGTPGQRVTISCSGSGSNIGSNTINWYQQLPGTAPKVLIYRNNERPSGVPDRFSGSKSGTSASLTISGLQSEDEAYYHCAAWDDSLNGPVFGGGTKLTVLG |
Antigen
Chain: E
Mutation: A67V/A93I/F140D/G336D/S368L/S370P/S372F/K414N/N437K/G443S/S474N/T475K/E481A/Q490R/G493S/Q495R/N498Y/Y502H/T544K/D611G/H652Y/N676K/P678H/N761K/D793Y/N853K/Q951H/N966K/L978F
>7WE7_E|Chain C[auth D], D[auth E], E[auth G]|Spike glycoprotein|Severe acute respiratory syndrome coronavirus 2 (2697049) MFVFLVLLPLVSSQCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHVISGTNGTKRFDNPVLPFNDGVYFASIEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLDHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPILVREPEDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFDEVFNATRFASVYAWNRKRISNCVADYSVLYNLAPFFTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNKLDSKVSGNYNYLYRLFRKSNLKPFERDISTEIYQAGNKPCNGVAGFNCYFPLRSYSFRPTYGVGHQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLKGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQGVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEYVNNSYECDIPIGAGICASYQTQTKSHRRARSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLKRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKYFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFKGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNHNAQALNTLVKQLSSKFGAISSVLNDIFSRLDKVEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQYIKWPWYIWLGFIAGLIAIVMVTIMLCCMTSCCSCLKGCCSCGSCCKFDEDDSEPVLKGVKLHYT |
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)
J: ARG50 ILE52 ILE54 VAL55 LYS57 ILE59 ARG74 GLN100 SER101 GLY102 PHE103 PHE105 PHE106 TYR107 M: ASN32 THR33 ARG51 TRP92 ASP94 ASN97 E: ARG343 LYS441 VAL442 SER443 ASN445 TYR446 ASN447 LEU449 THR467 PHE487 LEU489 ARG490 SER491 ARG495 THR497 |
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)