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Entry information

Complex
AACDB_ID: 3964
PDBID: 7KLG
Chains: HL_A
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: XRD
Resolution (Å): 3.20
Reference: 10.1016/j.jmb.2021.167177
Antibody
Antibody: 15033 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein
Antigen mutation: No
Durg Target: P0DTC2

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7KLG_H|Chain A[auth H], C[auth I]|Fab 15033 heavy chain|Homo sapiens (9606)
EVQLVESGGGLVQPGGSLRLSCAASGFDLGGYSMHWVRQAPGKGLEWVAGIYASGGATAYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARSYYYGGFGMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK

Light Chain: L
Mutation: NULL

>7KLG_L|Chain B[auth L], D[auth M]|Fab 15033 light chain|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASDLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQSYRYPITFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>7KLG_A|Chain E[auth A], F[auth B]|Spike glycoprotein|Severe acute respiratory syndrome coronavirus 2 (2697049)
RFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPK

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: SER38 HIS40 GLY55 ILE56 TYR57 ALA64 THR65 ALA66 TYR108 TYR109 TYR110 GLY111 GLY112 PHE113

L: SER28 SER36 SER37 ALA38 TYR55 SER56 SER65 ASP66 LEU67 TYR68 SER69 ARG80 SER107 TYR108 ARG109 TYR114

A: ARG403 ASP405 GLU406 GLN409 THR415 GLY416 LYS417 ASP420 TYR421 TYR453 LEU455 PHE456 ARG457 LYS458 ASN460 TYR473 ALA475 GLY476 SER477 GLU484 GLY485 PHE486 ASN487 TYR489 PHE490 GLN493 SER494 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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