Complex | |
AACDB_ID: | 3725 |
PDBID: | 7EZV |
Chains: | MN_A |
Organism: | Severe acute respiratory syndrome coronavirus 2, Homo sapiens |
Method: | EM |
Resolution (Å): | 3.30 |
Reference: | 10.1038/s41422-021-00555-0 |
Antibody | |
Antibody: | BD-836 Fab |
Antibody mutation: | No |
INN (Clinical Trial): | |
Antigen | |
Antigen: | SARS-CoV-2 Spike glycoprotein |
Antigen mutation: | No |
Durg Target: | P0DTC2; P0DTC2; |
Antibody
Heavy Chain: M
Mutation: NULL
>7EZV_M|Chain D[auth M]|836H|Homo sapiens (9606) MGWSLILLFLVAVATRVLSQVQLVQSGPEVKKPGTSVRVSCKASGFTFSTSAVQWVRQARGQRLEWIGWIAVGSGKTDYLQKFQERVTMTRDESTNTAYMQLSSLRSEDTAVYYCAAPHCSGGTCYDGFDIWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKHHHHHH |
Light Chain: N
Mutation: NULL
>7EZV_N|Chain E[auth N]|836L|Homo sapiens (9606) MGWSCIILFLVATATGVHSEIVLTQSPGTLSLSPGERATLSCRASQSVRSGYFAWYQQRPGRAPRLLIYGASSRATAIPDRFSGSGSGTDFTLTINRLEPEDFAVYYCQQYGTSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: NULL
>7EZV_A|Chain A|Spike glycoprotein|Severe acute respiratory syndrome coronavirus 2 (2697049) MFVFLVLLPLVSSQCVNFTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVSGTNGTKRFANPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRGLPQGFSALEPLVDLPIGINITRFQTLHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQGVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSPGSASSVASQSIIAYTMSLGVENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSPIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQGSGYIPEAPRDGQAYVRKDGEWVLLSTFLGRSLEVLFQGPGHHHHHHHHSAWSHPQFEKGGGSGGGGSGGSAWSHPQFEK |
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)
M: SER30 THR31 SER32 ALA33 TRP50 ALA52 GLY54 SER55 LYS57 ARG72 GLU74 SER75 PRO99 GLY103 GLY104 THR105 CYS106 TYR107 ASP108 GLY109 PHE110 N: ARG30 SER31 GLY32 TYR33 TYR92 THR94 TRP97 A: ASN417 TYR421 TYR453 LEU455 PHE456 ARG457 LYS458 TYR473 ALA475 GLY476 SER477 THR478 PRO479 CYS480 ASN481 VAL483 LYS484 GLY485 PHE486 ASN487 CYS488 TYR489 PHE490 LEU492 GLN493 TYR505 |
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)