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Entry information

Complex
AACDB_ID: 3600
PDBID: 7DJZ
Chains: AB_C
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: XRD
Resolution (Å): 2.40
Reference: 10.1038/s42003-022-03207-0
Antibody
Antibody: MW01 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 Spike glycoprotein RBD
Antigen mutation: No
Durg Target: P0DTC2

Sequence information

Antibody

Heavy Chain: A
Mutation: NULL

>7DJZ_A|Chain A|MW01 heavy chain|Homo sapiens (9606)
EVQLVQSGAEVKKPGSSVKVSCKASGGTFSSFSISWVRQAPGQGLEWMGRIIPVLGIANYAQEVQGRVTITADKSTSTAYMELSSLRSEDTAVYFCTTDRFVEPATGPFFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: B
Mutation: NULL

>7DJZ_B|Chain B|MW01 light chain|Homo sapiens (9606)
EIVMTQSPATLSVSPGERATLSCRASQSVSSNLAWYQQKPGQAPRLLIYGASTRATGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQYSNWLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: C
Mutation: NULL

>7DJZ_C|Chain C|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
RVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNF

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: GLU1 SER30 SER31 PHE32 TRP47 ARG50 ILE52 VAL54 LEU55 ILE57 ASN59 TYR60 ALA61 GLN62 GLN65 ARG100 PHE101 GLU103 PRO104 ALA105 THR106

B: GLU1 ILE2 GLN27 ASN93 TRP94

C: TYR351 ARG403 LYS417 VAL445 GLY446 GLY447 TYR449 ASN450 LEU452 TYR453 LEU455 PHE456 THR470 ILE472 ASN481 GLY482 VAL483 GLU484 GLY485 PHE486 ASN487 TYR489 PHE490 LEU492 GLN493 SER494

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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