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Entry information

Complex
AACDB_ID: 3792
PDBID: 7JMP
Chains: HL_A
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 1.71
Reference: 10.1016/j.celrep.2020.108274
Antibody
Antibody: COVA2-39 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: H
Mutation: NULL

>7JMP_H|Chain B[auth H]|COVA2-39 heavy chain|Homo sapiens (9606)
QVQLVETGGGLIQPGGSLRLSCAASGFTVSSNYMSWVRQAPGKGLEWVSVIYTGGTTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARAHVDTAMVESGAFDIWGQGTRVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCHHHHHH

Light Chain: L
Mutation: NULL

>7JMP_L|Chain C[auth L]|COVA2-39 light chain|Homo sapiens (9606)
QSALTQPASVSGSPGQSITISCTGTSSDVGSYNLVSWYQQHPGKAPKLMIYEVTKRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCCSYAGSSTWVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>7JMP_A|Chain A|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
RVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFSGHHHHHH

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)

H: THR28 SER30 SER31 TYR33 TYR52 THR53 GLY54 THR56 TYR58 ASN73 SER74

L: TYR30 LEU32 TYR91 TRP96

A: GLY446 TYR449 LEU455 PHE456 TYR473 ALA475 SER477 THR478 VAL483 GLU484 GLY485 PHE486 ASN487 TYR489 PHE490 LEU492 GLN493 SER494 GLN498

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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