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Entry information

Complex
AACDB_ID: 5370
PDBID: 7WNB
Chains: HL_R
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 2.18
Reference: 10.1038/s42003-023-04782-6
Antibody
Antibody: NCV2SG48 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

>7WNB_H|Chain C[auth H]|Fab Heavy chain|Homo sapiens (9606)
EVQLVESGGGLIQPGGSLRLSCAASGFIVSRNYMNWVRQAPGKGLEWVALIYSGGSTFYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDLVVYGLDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTGHHHHHH

Light Chain: L
Mutation: NULL

>7WNB_L|Chain B[auth L]|Fab Light chain|Homo sapiens (9606)
AIQLTQSPSSLSASVGDRVTITCRASQGISSHLAWYQQKPGKAPKLLIFAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQHLNSNPPITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE

Antigen

Chain: R
Mutation: NULL

>7WNB_R|Chain A[auth R]|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
QPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNTGHHHHHH

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: ALA1 ILE2 GLN29 GLY30 ILE31 SER32 SER33 HIS34 SER69 GLY70 HIS92 ASN94 SER95 ASN96 PRO97

H: VAL2 GLY26 PHE27 ILE28 SER30 ARG31 ASN32 TYR33 TYR52 SER53 GLY54 SER56 THR57 PHE58 ARG71 ARG97 LEU99 VAL100 VAL101 TYR102 ASP105 TYR106

R: ARG403 ASP405 GLU406 ARG408 GLN409 THR415 GLY416 LYS417 ASP420 TYR421 TYR449 TYR453 LEU455 PHE456 ARG457 LYS458 SER459 ASN460 TYR473 GLN474 ALA475 GLY476 SER477 GLU484 PHE486 ASN487 TYR489 PHE490 GLN493 SER494 TYR495 GLY496 GLN498 THR500 ASN501 GLY502 VAL503 GLY504 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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