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Entry information

Complex
AACDB_ID: 4376
PDBID: 7MZI
Chains: HL_A
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: XRD
Resolution (Å): 1.85
Reference: 10.1016/j.celrep.2021.109822
Antibody
Antibody: WCSL-129 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

>7MZI_H|Chain B[auth H]|WCSL 129 heavy chain|Homo sapiens (9606)
EVQLLESGGGLVQPGGSLRLSCAASGFTFSRFAMTWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKVGWGAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTH

Light Chain: L
Mutation: NULL

>7MZI_L|Chain A[auth L]|WCSL 129 light chain|Homo sapiens (9606)
QSVLTQPPSASGTPGQSVSISCSGTYSNIGSNPVNWYQQVPGTAPKLLIYANDQRPSGVPDRFSGSKSATSAFLAIGGLQSEDDADYYCSTWDDSLPGPLFGGGTKLTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>7MZI_A|Chain C[auth A]|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPGSHHHHHH

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)

Chain residues position delta_SASA : residuesposition

L: TYR26 GLY30 SER31 ASN32 PRO33 TYR50 ALA51 ASN52 ASP53 GLN54 ARG55 SER64 SER66 LYS67 TRP92 ASP93 ASP94 SER95 LEU96 PRO97

H: ALA33 TRP47 ALA50 SER52 TYR59 VAL99 TRP101 GLY102 PHE104

A: ARG403 ASP405 GLU406 ARG408 THR415 GLY416 LYS417 ASP420 TYR421 TYR453 LEU455 PHE456 ARG457 LYS458 SER459 TYR473 ALA475 GLY476 SER477 THR478 GLY485 PHE486 ASN487 TYR489 PHE490 LEU492 GLN493 TYR505

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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