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Entry information

Complex
AACDB_ID: 3609
PDBID: 7DK5
Chains: ab_A
Organism: Severe acute respiratory syndrome coronavirus 2, Mus musculus
Method: EM
Resolution (Å): 13.50
Reference: 10.1038/s41467-020-20465-w
Antibody
Antibody: 2H2 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 Spike glycoprotein
Antigen mutation: No
Durg Target: P0DTC2

Sequence information

Antibody

Heavy Chain: a
Mutation: NULL

>7DK5_a|Chain C[auth a]|The heavy chain of 2H2 Fab|Mus musculus (10090)
QVQLKQSGPSLVQPSQSLSITCTVSGFSLTSYGVHWVRQSPGKGLEWLGVMWRGGNTDYNAAFMSRLSITKDNSKSQVFFKMNSLQTDDTAIYYCAKNGGAHAMDFWGQGTSVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKI

Light Chain: b
Mutation: NULL

>7DK5_b|Chain D[auth b]|The light chain of 2H2 Fab|Mus musculus (10090)
NIVLTQSPASLAVSLGQRATISCRASESVDSYGNSFLHWYQQKPGQPPKLLIYLASNLESGVPARFSGSGSRTDFTLTIDPVEADDAATYYCQQNNEDPFTFGSGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: A
Mutation: NULL

>7DK5_A|Chain A, B, E[auth C]|Spike glycoprotein|Severe acute respiratory syndrome coronavirus 2 (2697049)
MFVFLVLLPLVSSQCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSPGSASSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQGSGYIPEAPRDGQAYVRKDGEWVLLSTFLENLYFQGDYKDDDDKHHHHHHHHH

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)

a: GLN1 VAL2 SER31 TYR32 GLY33 TRP52 ARG53 GLY54 GLY55 ASP58 LYS97 ASN98 GLY99 GLY100 ALA101 HIS102 ASP105 PHE106

b: SER28 ASP30 SER31 TYR32 GLY33 ASN34 PHE36 LEU50 TYR53 LEU54 SER56 ASN57 LEU58 GLU59 SER60 GLY61 VAL62 PRO63 ALA64 ASN95 ASN96 GLU97 ASP98 PHE100

A: ARG403 ASP405 GLU406 LYS417 TYR421 LYS444 VAL445 GLY446 GLY447 TYR449 LEU452 TYR453 LEU455 PHE456 ARG457 LYS458 ILE472 TYR473 GLN474 ALA475 CYS480 VAL483 GLU484 GLY485 PHE486 ASN487 CYS488 TYR489 PHE490 LEU492 GLN493 SER494 GLY496 GLN498 ASN501 GLY504 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)

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