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Entry information

Complex
AACDB_ID: 6247
PDBID: 8GF2
Chains: CD_A
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 2.85
Reference: 10.1126/scisignal.abk3516
Antibody
Antibody: CC12.3 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein RBD
Antigen mutation: No
Durg Target: P0DTC2; P0DTC2;

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>8GF2_C|Chain B[auth C], G[auth E]|CC12.3 Fab heavy chain|Homo sapiens (9606)
QVQLVESGGGLIQPGGSLRLSCAASGFTVSSNYMSWVRQAPGKGLEWVSVIYSGGSTFYADSVKGRFTISRDNSKSTLYLQMNSLRVEDTAVYYCARDFGDFYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: D
Mutation: NULL

>8GF2_D|Chain C[auth D], H[auth F]|CC12.3 Fab light chain|Homo sapiens (9606)
EIVLTQSPGTLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPRTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECS

Antigen

Chain: A
Mutation: NULL

>8GF2_A|Chain A, F[auth B]|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)

C: GLN1 VAL2 GLY26 PHE27 THR28 SER30 SER31 ASN32 TYR33 TYR52 SER53 GLY54 SER56 THR57 PHE58 ARG94 PHE96 GLY97 ASP98 PHE99 ASP101 TYR102

D: ILE2 GLN27 SER28 VAL29 SER30 TYR32 THR56 GLY92 SER93 SER94

A: ARG403 ASP405 THR415 GLY416 LYS417 ASP420 TYR421 TYR453 LEU455 PHE456 ARG457 LYS458 SER459 ASN460 TYR473 GLN474 ALA475 GLY476 SER477 PHE486 ASN487 TYR489 GLN493 SER494 GLY496 GLN498 THR500 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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