Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 4044 |
| PDBID: | 7L7E |
| Chains: | CD_b |
| Organism: | Homo sapiens, Severe acute respiratory syndrome coronavirus 2 |
| Method: | XRD |
| Resolution (Å): | 3.00 |
| Reference: | 10.1038/s41564-021-00972-2 |
| Antibody | |
| Antibody: | AZD1061 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | Cilgavimab(Approved) |
| Antigen | |
| Antigen: | SARS-CoV-2 Spike glycoprotein RBD |
| Antigen mutation: | No |
| Durg Target: | P0DTC2; P0DTC2; |
Sequence information
Antibody
Heavy Chain: C
Mutation: NULL
| >7L7E_C|Chain C, E, K[auth M], M[auth O]|heavy chain of human monoclonal antibody Fab AZD1061|Homo sapiens (9606) EVQLVESGGGLVKPGGSLRLSCAASGFTFRDVWMSWVRQAPGKGLEWVGRIKSKIDGGTTDYAAPVKGRFTISRDDSKNTLYLQMNSLKTEDTAVYYCTTAGSYYYDTVGPGLPEGKFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK |
Light Chain: D
Mutation: NULL
| >7L7E_D|Chain D, F, L[auth N], N[auth P]|light chain of human monoclonal antibody Fab AZD1061|Homo sapiens (9606) DIVMTQSPDSLAVSLGERATINCKSSQSVLYSSNNKNYLAWYQQKPGQPPKLLMYWASTRESGVPDRFSGSGSGAEFTLTISSLQAEDVAIYYCQQYYSTLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLRSPVTKSFNRGEC |
Antigen
Chain: b
Mutation: NULL
| >7L7E_b|Chain Q[auth G], R[auth K], S, T[auth b]|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049) PNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKGLVPRGSHHHHHHHH |
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 C: ASP31 ILE55 ASP56 TYR104 TYR105 TYR106 ASP107 THR108 VAL109 GLY110 PRO111 LEU113 GLY116 PHE118 D: SER32 SER33 ASN34 ASN35 LYS36 TYR38 TYR55 TRP56 THR59 GLU61 SER62 b: THR345 ARG346 ASN439 ASN440 LEU441 SER443 LYS444 VAL445 GLY446 GLY447 TYR449 ASN450 LEU452 GLU484 PHE490 LEU492 GLN493 SER494 PRO499 |
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)
