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Entry information

Complex
AACDB_ID: 3634
PDBID: 7E5O
Chains: HL_A
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: XRD
Resolution (Å): 2.80
Reference: 10.1016/j.immuni.2021.08.025
Antibody
Antibody: NT-193 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

>7E5O_H|Chain A[auth H]|NT-193 Heavy chain|Homo sapiens (9606)
EVQLQQWGAGLLKPSETLSLTCAVYGGSFSGYYWSWIRQPPGKGLEWIGEINHSGSTNYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARGWDLDYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKGSSLEVLFQGPLGHHHHHH

Light Chain: L
Mutation: NULL

>7E5O_L|Chain B[auth L]|NT-193 Light chain|Homo sapiens (9606)
AIRMTQSPSAMSASVGDRVTVTCRASQGIGNYLAWFQLKPGKVPKRLIYAASSLQSGVPARFSGGGSGTEFTLTISSLQPEDFATYYCLQHGFLPWTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>7E5O_A|Chain C[auth A]|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: TYR33 ASN52 SER56 THR57 ASN58 PRO61 TRP99 ASP100 LEU101 ASP102 TYR103 TYR104 TYR105

L: GLN28 GLY29 ILE30 GLY31 ASN32 TYR33 ALA52 SER53 GLY65 GLY66 GLY67 SER68 GLY69 GLU71 THR73 GLY93 PHE94 LEU95 PRO96 TRP97

A: ARG403 ASP405 GLU406 ARG408 GLN409 THR415 GLY416 LYS417 ASP420 TYR421 TYR449 TYR453 LEU455 PHE456 ALA475 GLU484 GLY485 PHE486 ASN487 CYS488 TYR489 GLN493 SER494 GLY496 GLN498 THR500 ASN501 GLY502 VAL503 GLY504 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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