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Entry information

Complex
AACDB_ID: 6087
PDBID: 8E1G
Chains: VT_B
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: XRD
Resolution (Å): 2.57
Reference: 10.1016/j.celrep.2023.112421
Antibody
Antibody: 2A10 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: V
Mutation: NULL

>8E1G_V|Chain A[auth H], B[auth V]|2A10 Fab, heavy chain|Homo sapiens (9606)
QVQLVESGGGLIQPGGSLRLSCAASEFIVSSNYMSWVRQAPGKGLEWVSLLYSGGTTYYADSVKGRFTISRDNSKNTLFLQMNSLRAEDTAMYYCARDRGPWLHDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTH

Light Chain: T
Mutation: NULL

>8E1G_T|Chain C[auth L], D[auth T]|2A10 Fab, light chain|Homo sapiens (9606)
DIVMTQSPSSLSASVGDRVTITCQASQDINKYCNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTINSLQPEDIATYYCQQYDNLPPTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: B
Mutation: NULL

>8E1G_B|Chain E[auth A], F[auth B]|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
RVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSLEVDDDDK

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)

V: GLN1 VAL2 GLU26 PHE27 ILE28 SER30 SER31 ASN32 TYR33 TYR52 SER53 GLY54 THR56 TYR58 ARG97 ARG99 GLY100 PRO101 ASP105 TYR106

T: ASP28 ILE29 ASN30 LYS31 TYR32 ASP50 ASP92 ASN93

B: ARG403 ASP405 THR415 GLY416 LYS417 ASP420 TYR421 LEU455 PHE456 ARG457 LYS458 SER459 ASN460 TYR473 GLN474 ALA475 GLY476 SER477 THR478 PHE486 ASN487 TYR489 GLN493 SER494 TYR495 GLY496 ASN501 GLY502 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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