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Entry information

Complex
AACDB_ID: 3658
PDBID: 7E7X
Chains: HL_A
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 2.78
Reference: 10.1038/s41422-021-00514-9
Antibody
Antibody: N11 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 Spike glycoprotein NTD
Antigen mutation: No
Durg Target: P0DTC2

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7E7X_H|Chain B[auth H], E[auth M]|N11 Fab heavy chain|Homo sapiens (9606)
QVQVVQSGAEVKKPGASVKVSCKVSGYTLIEISIHWVRQAPGKGLEWMGGFDPEAGETIYAQKFQGRVTMTEDTSTDTAYMEVSSLRSEDTAVYYCATGPAIAAAETNWFDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKHHHHHH

Light Chain: L
Mutation: NULL

>7E7X_L|Chain C[auth L], F[auth N]|N11 Fab Light chain|Homo sapiens (9606)
QSALTQPASVSGSPGQSITISCTGTSSDVGSYNYVSWYQQHPGKAPKLMIYDVTKRPSGVPDRFSGSKSGNTASLTISGLQAEDEADYYCSSYTSSSTWVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>7E7X_A|Chain A, D[auth B]|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
SQCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLHHHHHH

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: GLY26 TYR27 THR28 LEU29 ILE30 GLU31 ILE32 PHE51 PRO53 GLU54 GLY56 GLU72 THR74 THR98 GLY99 PRO100 ALA101 ILE102 ALA103 ALA105 THR107 TRP109 ASP111

L: LEU48 TYR51 PRO57 SER58

A: GLN14 TYR144 TYR145 HIS146 LYS147 ASN148 LYS150 TRP152 ARG158 ARG246 SER247 TYR248 LEU249 THR250 PRO251 GLY252 ASP253 SER254 SER255

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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