Complex | |
AACDB_ID: | 7390 |
PDBID: | 5YY5 |
Chains: | HL_A |
Organism: | Middle East respiratory syndrome-related coronavirus, Homo sapiens |
Method: | XRD |
Resolution (Å): | 2.80 |
Reference: | 10.1016/j.celrep.2018.06.041 |
Antibody | |
Antibody: | MERS-4V2 Fv |
Antibody mutation: | No |
INN (Clinical Trial): | |
Antigen | |
Antigen: | Middle East respiratory syndrome-related coronavirus RBD |
Antigen mutation: | No |
Durg Target: |
Antibody
Heavy Chain: H
Mutation: NULL
>5YY5_H|Chain C[auth H]|Heavy chain|Homo sapiens (9606) EVQLVESGGGLVQPGRSLRLSCAASGFTFSNYAMYWVRQAPGKGLEWVALISYDISTDYYADSVKGRFTISRDNSKNTIYLQMNNLRTEDTALYYCTNTYYWGQGTLVTVS |
Light Chain: L
Mutation: NULL
>5YY5_L|Chain D[auth L]|Light chain|Homo sapiens (9606) GSQPVLTQSPSASGTPGQRVTISCSGSSSNIGNNYVYWYQQLPGTAPKLLIYWNDQRPSGVPDRFSGSKSGTSASLAISGLRSEDEADYYCAAWDDSLSGAVFGGGTQLTVL |
Antigen
Chain: A
Mutation: NULL
>5YY5_A|Chain A, B|MERS-CoV RBD|Middle East respiratory syndrome coronavirus (1335626) GVECDFSPLLSGTPPQVYNFKRLVFTNCNYNLTKLLSLFSVNDFTCSQISPAAIASNCYSSLILDYFSYPLSMKSDLSVSSAGPISQFNYKQSFSNPTCLILATVPHNLTTITKPLKYSYINKCSRLLSDDRTEVPQLVNANQYSPCVSIVPSTVWEDGDYYRKQLSPLEGGGWLVASGSTVAMTEQLQMGFGITVQYGTDTNSVCPKL |
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: SER30 ASN31 TYR32 ALA33 TYR35 LEU50 TYR52 ASP53 TYR58 THR95 TYR96 L: ASN32 TYR33 TYR35 TYR50 TRP51 ASP53 GLN54 ARG55 PRO56 SER57 ASP61 ALA90 ALA91 TRP92 ASP94 ALA99 A: ARG505 LEU507 SER508 THR512 VAL514 GLN516 LEU517 ASN519 ALA520 ASN521 GLN522 TYR523 PRO525 LYS543 LEU545 SER546 PRO547 LEU548 GLU549 GLY550 LEU554 |
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)