Details

Structure visualisation

Display styles :





Display color :





Entry information

Complex
AACDB_ID: 5897
PDBID: 8CWJ
Chains: AB_I
Organism: Homo sapiens, Pangolin coronavirus
Method: XRD
Resolution (Å): 2.45
Reference: Not available or To be published
Antibody
Antibody: 4C12-B12 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Pangolin receptor binding domain (pRBD)
Antigen mutation: No
Durg Target: P0DTC2; P0DTC2;

Sequence information

Antibody

Heavy Chain: A
Mutation: NULL

>8CWJ_A|Chain A, D[auth H]|Heavy chain of CR3022 antibody Fab|Homo sapiens (9606)
QMQLVQSGTEVKKPGESLKISCKGSGYGFITYWIGWVRQMPGKGLEWMGIIYPGDSETRYSPSFQGQVTISADKSINTAYLQWSSLKASDTAIYYCAGGSGISTPMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCGSHHHHHH

Light Chain: B
Mutation: NULL

>8CWJ_B|Chain B, E[auth L]|Light chain of CR3022 antibody Fab|Homo sapiens (9606)
DIQLTQSPDSLAVSLGERATINCKSSQSVLYSSINKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYSTPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: I
Mutation: NULL

>8CWJ_I|Chain C[auth G], F[auth I]|Spike glycoprotein|Pangolin coronavirus (2708335)
TNLCPFGEVFNATTFASVYAWNRKRISNCVADYSVLYNSTSFSTFKCYGVSPTKLNDLCFTNVYADSFVVRGDEVRQIAPGQTGRIAGYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFHPTNGVGYQPYRVVVLSFELLNAPATVCGPKGSHHHHHH

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)

A: TYR27 GLY28 ILE30 THR31 TYR32 TRP33 TYR52 GLY54 ASP55 SER56 GLU57 THR58 ARG59 LYS74 SER100 GLY101 ILE102 SER103 THR104 PRO105 ASP107

B: TYR31 SER32 SER33 ILE34 ASN35 TYR38 TYR55 TRP56 GLU61 SER62

I: TYR369 ASN370 SER371 PHE374 SER375 THR376 PHE377 LYS378 CYS379 TYR380 GLY381 VAL382 SER383 PRO384 THR385 LYS386 LEU390 PHE392 ARG408 GLN414 ASP427 ASP428 PHE429 THR430 PHE515 GLU516 LEU517

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)

Download

Download sequences
Download structure
Download interacting residues (ΔSASA based)
Download interacting residues (Distance based)