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Entry information

Complex
AACDB_ID: 4294
PDBID: 7MF1
Chains: HL_A
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 2.09
Reference: 10.1016/j.celrep.2021.109109
Antibody
Antibody: 47D1 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

>7MF1_H|Chain B[auth H]|47D1 Fab heavy chain|Homo sapiens (9606)
QVQLVQSGAEVKKPGSSVRVSCKASGGTFSTYPISWVRQAPGQGLEWMGGIIPIFGTAKSAQKFQGRVTITADEFTSTAYMEMSSLRSEDTAMYYCAREGRRYGSGWYISTGYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC

Light Chain: L
Mutation: NULL

>7MF1_L|Chain C[auth L]|47D1 Fab light chain|Homo sapiens (9606)
QLVLTQPASVSGSPGQSIIVSCTGTSSDVGGYKFVSWYQQHPGKAPRVMIYDVSNRPSGVSNRFSGSKSGNTASLTISGLQADDEADYYCSSYTNSSTVVFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>7MF1_A|Chain A|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
TNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSGHHHHHH

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)

Chain residues position delta_SASA : residuesposition

H: GLY26 GLY27 THR28 PHE29 SER30 THR31 TYR32 ILE53 PHE54 GLU73 PHE74 SER76 ARG97 ARG98 TYR99

L: LYS31 PHE32

A: ARG346 TYR351 LYS444 GLY446 TYR449 ASN450 LEU452 THR470 GLU471 ILE472 ASN481 GLY482 VAL483 GLU484 PHE490 LEU492 GLN493 SER494

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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