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Entry information

Complex
AACDB_ID: 3761
PDBID: 7FCQ
Chains: HL_A
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 1.89
Reference: 10.1172/JCI154987
Antibody
Antibody: P14-44 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

>7FCQ_H|Chain B[auth H]|P14-44 antibody Fab fragment heavy chain|Homo sapiens (9606)
QVQLVQSGAEVKKPGASVKVSCKASGYIFTSYSMHWVRQAPGQGLEWMGTIKPSDDSTNYAQKFQGRVSMTRDTSTSTVYMELSSLRYEDTAVYYCAREARGYYDRSGYYHPGYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTH

Light Chain: L
Mutation: NULL

>7FCQ_L|Chain C[auth L]|P14-44 antibody Fab fragment light chain|Homo sapiens (9606)
QSVLTQPASVSGSPGQSITISCTGTSSDVGGYNFVSWYQQHPGKAPKLMIYEVSDRPSGVSSRFSGSKSGNTASLTISGLQAEDEADYYCFSYTTSTTWVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>7FCQ_A|Chain A|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
VDITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKSRGS

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: GLN1 VAL2 TYR27 ILE28 SER31 TYR32 ARG98 ALA100 ARG101 GLY102 TYR103 TYR104 ASP105 ARG106 SER107 GLY108 TYR114 ASP116 TYR117

L: TYR51 ARG56 PRO57 SER58 GLY59

A: TYR369 ASN370 SER371 ALA372 PHE374 PHE377 LYS378 CYS379 TYR380 GLY381 VAL382 SER383 PRO384 THR385 ASP405 ARG408 GLN409 PRO412 GLY413 GLN414 THR415 PRO426 ASP427 ASP428 PHE429 ASN460

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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