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Entry information

Complex
AACDB_ID: 3205
PDBID: 6XKQ
Chains: HL_A
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 2.55
Reference: 10.1016/j.cell.2020.09.049
Antibody
Antibody: CV07-250 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

>6XKQ_H|Chain B[auth H]|CV07-250 Heavy Chain|Homo sapiens (9606)
QVQLVQSEAEVKEPGASVEVSCKASGYNFTNFAISWVRQAPGQGLEWMGWISGYNGDTNSAQKFLGRVTMTTDTSTTTAYMELRSLRSDDTAVYYCAGSDNYGFPYNGMDVWGQGTTVTVFNQIKPPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: L
Mutation: NULL

>6XKQ_L|Chain C[auth L]|CV07-250 Light Chain|Homo sapiens (9606)
QSALTQPPSASGSPGQSVTISCTGTSSDLGAYHFVTWYQHYPGKAPKVMIYGVRKRPSGVPDRFSGSKSGNTASLTVSGLQDEDEADYYCSSYAGNNDFVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>6XKQ_A|Chain A|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
RVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFSGHHHHHH

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: ASN31 SER95 ASP96 ASN97 TYR98 MET100 ASP101

L: GLY28 ALA29 TYR30 HIS31 PHE32 VAL46 TYR49 LYS53 PRO55 LYS66 SER67 GLY68 ASN69

A: ARG403 LYS417 GLY446 TYR449 TYR453 LEU455 PHE456 ALA475 GLY476 SER477 THR478 GLU484 GLY485 PHE486 ASN487 TYR489 GLN493 SER494 TYR495 GLY496 GLN498 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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