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Entry information

Complex
AACDB_ID: 6373
PDBID: 8HES
Chains: HL_C
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: XRD
Resolution (Å): 2.20
Reference: 10.1038/s41467-023-39890-8
Antibody
Antibody: NIV-10 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

>8HES_H|Chain A[auth H]|NIV-10 Fab H-chain|Homo sapiens (9606)
EVQLVESGGGLVQPGGSLRLSCAASGFTFYSYWMTWVRQAPGKGLEWVANIKHDESESHYVDSVRGRFTISRDNAKNSVYLQMKGLRAEDTAVYYCARDGGYNILTAYYHAPSYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKGSSLEVLFQGPLGHHHHHH

Light Chain: L
Mutation: NULL

>8HES_L|Chain C[auth L]|NIV-10 Fab L-chain|Homo sapiens (9606)
QSALTQPASVSGSPGQSITISCTGTSSDVGGYNFVSWYRQYPGKAPQLMIYDVSRRPSGDSDRFSGSKSGNTASLTISGLQAEDEAEYHCSSYTGRSPYVVFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: C
Mutation: NULL

>8HES_C|Chain B[auth C]|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
PTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKN

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 TYR30 SER31 TYR32 TRP33 LYS52 HIS53 ASP54 GLU55 SER56 ASN74 ARG98 ASP99 TYR102 ASN103 ILE104 LEU105 THR106 TYR108 HIS110 SER113 TYR114

L: LEU46 TYR49 ARG53 PRO55 SER56

C: ARG403 GLY416 LYS417 ASP420 TYR421 TYR449 LEU452 TYR453 LEU455 PHE456 ARG457 TYR473 ALA475 THR478 VAL483 GLU484 GLY485 PHE486 ASN487 CYS488 TYR489 PHE490 LEU492 GLN493 SER494 GLY496 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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