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Entry information

Complex
AACDB_ID: 7393
PDBID: 5ZXV
Chains: CD_B
Organism: Middle East respiratory syndrome-related coronavirus, Homo sapiens
Method: XRD
Resolution (Å): 4.48
Reference: 10.1016/j.celrep.2018.06.041
Antibody
Antibody: MERS-4 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Middle East respiratory syndrome-related coronavirus RBD
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>5ZXV_C|Chain C, E[auth H]|heavy chain|Homo sapiens (9606)
GVQLVESGGGLVQPGRSLRLSCAASGFTFSNYAMYWVRQAPGKGLEWVALISYDISTDYYADSVKGRFTISRDNSKNTIYLQMNNLRTEDTALYYCAGNDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK

Light Chain: D
Mutation: NULL

>5ZXV_D|Chain D, F[auth L]|light chain|Homo sapiens (9606)
SVLTQSPSASGTPGQRVTISCSGSSSNIGNNYVYWYQQLPGTAPKLLIYWNDQRPSGVPDRFSGSKSGTSASLAISGLRSEDEADYYCAAWDDSLSGAVFGGGTQLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: B
Mutation: NULL

>5ZXV_B|Chain A, B|MERS-CoV RBD|Middle East respiratory syndrome coronavirus (1335626)
VECDFSPLLSGTPPQVYNFKRLVFTNCNYNLTKLLSLFSVNDFTCSQISPAAIASNCYSSLILDYFSYPLSMKSDLSVSSAGPISQFNYKQSFSNPTCLILATVPHNLTTITKPLKYSYINKCSRLLSDDRTEVPQLVNANQYSPCVSIVPSTVWEDGDYYRKQLSPLEGGGWLVASGSTVAMTEQLQMGFGITVQYGTDTNSVCPKL

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)

C: ASN31 TYR32 ALA33 TYR35 LEU50 TYR52 ASP53 SER55 TYR58 ASN95

D: ASN31 ASN32 TYR33 TYR35 TYR50 TRP51 ASP53 GLN54 ARG55 PRO56 SER57 ASP61 ALA90 ALA91 TRP92 ASP94 ALA99

B: ARG401 PHE473 ASN475 ARG505 LEU507 SER508 ASP509 THR512 VAL514 GLN516 LEU517 ASN519 ALA520 ASN521 GLN522 TYR523 SER524 PRO525 SER528 LYS543 LEU545 SER546 PRO547 LEU548 GLU549 GLY550 LEU554 GLN576

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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