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Entry information

Complex
AACDB_ID: 1904
PDBID: 5W9L
Chains: EF_D
Organism: Middle East respiratory syndrome-related coronavirus, Mus musculus
Method: EM
Resolution (Å): 4.80
Reference: 10.1073/pnas.1707304114
Antibody
Antibody: G4 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: MERS-CoV Spike glycoprotein
Antigen mutation: Yes
Durg Target:

Sequence information

Antibody

Heavy Chain: E
Mutation: NULL

>5W9L_E|Chain C[auth E], F[auth H]|G4 VH|Mus musculus (10090)
QVQLQQSGPELVRPGVSVKISCKGSGYTFTDYAIHWVKQSHAKSLEWIGVFSTYYGNTNYNQKFKGRATMTVDKSSSTAYMELARLTSEDSAIYYCARKSYYVDYVDAMDYWGQGTSVTVSSASTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDCGKGLEVLFQ

Light Chain: F
Mutation: NULL

>5W9L_F|Chain D[auth F], G[auth I]|G4 VL|Mus musculus (10090)
DIVLTQSPASLAVSLGQRATISCRASESVDNYGISFMNWFQQKPGQPPKLLISATSNQGSGVPARFIGSGSGTDFSLNIHPVEEDDTAMYFCQQSKEVPRTFGGGTKLEIKRTDAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: D
Mutation: V1060P/L1061P

>5W9L_D|Chain A, B, E[auth C], H[auth D], I[auth G], J|Spike glycoprotein|Middle East respiratory syndrome-related coronavirus (1335626)
MIHSVFLLMFLLTPTESYVDVGPDSVKSACIEVDIQQTFFDKTWPRPIDVSKADGIIYPQGRTYSNITITYQGLFPYQGDHGDMYVYSAGHATGTTPQKLFVANYSQDVKQFANGFVVRIGAAANSTGTVIISPSTSATIRKIYPAFMLGSSVGNFSDGKMGRFFNHTLVLLPDGCGTLLRAFYCILEPRSGNHCPAGNSYTSFATYHTPATDCSDGNYNRNASLNSFKEYFNLRNCTFMYTYNITEDEILEWFGITQTAQGVHLFSSRYVDLYGGNMFQFATLPVYDTIKYYSIIPHSIRSIQSDRKAWAAFYVYKLQPLTFLLDFSVDGYIRRAIDCGFNDLSQLHCSYESFDVESGVYSVSSFEAKPSGSVVEQAEGVECDFSPLLSGTPPQVYNFKRLVFTNCNYNLTKLLSLFSVNDFTCSQISPAAIASNCYSSLILDYFSYPLSMKSDLSVSSAGPISQFNYKQSFSNPTCLILATVPHNLTTITKPLKYSYINKCSRFLSDDRTEVPQLVNANQYSPCVSIVPSTVWEDGDYYRKQLSPLEGGGWLVASGSTVAMTEQLQMGFGITVQYGTDTNSVCPKLEFANDTKIASQLGNCVEYSLYGVSGRGVFQNCTAVGVRQQRFVYDAYQNLVGYYSDDGNYYCLRACVSVPVSVIYDKETKTHATLFGSVACEHISSTMSQYSRSTRSMLKRRDSTYGPLQTPVGCVLGLVNSSLFVEDCKLPLGQSLCALPDTPSTLTPASVGSVPGEMRLASIAFNHPIQVDQLNSSYFKLSIPTNFSFGVTQEYIQTTIQKVTVDCKQYVCNGFQKCEQLLREYGQFCSKINQALHGANLRQDDSVRNLFASVKSSQSSPIIPGFGGDFNLTLLEPVSISTGSRSARSAIEDLLFDKVTIADPGYMQGYDDCMQQGPASARDLICAQYVAGYKVLPPLMDVNMEAAYTSSLLGSIAGVGWTAGLSSFAAIPFAQSIFYRLNGVGITQQVLSENQKLIANKFNQALGAMQTGFTTTNEAFHKVQDAVNNNAQALSKLASELSNTFGAISASIGDIIQRLDPPEQDAQIDRLINGRLTTLNAFVAQQLVRSESAALSAQLAKDKVNECVKAQSKRSGFCGQGTHIVSFVVNAPNGLYFMHVGYYPSNHIEVVSAYGLCDAANPTNCIAPVNGYFIKTNNTRIVDEWSYTGSSFYAPEPITSLNTKYVAPQVTYQNISTNLPPPLLGNSTGIDFQDELDEFFKNVSTSIPNFGSLTQINTTLLDLTYEMLSLQQVVKALNESYIDLKELGNYTYGSGYIPEAPRDGQAYVRKDGEWVLLSTFLGRSLEVLFQ

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)

E: ASP31 TYR32 ALA33 VAL50 TYR53 TYR54 ASN56 THR57 ASN58 ARG94 LYS95 SER96 TYR97

F: ASN27 TYR28 ILE30 PHE32 SER91 LYS92 GLU93 VAL94 ARG96

D: SER776 TYR777 GLN988 VAL1149 VAL1150 LYS1174 THR1175 ASN1176 ASN1177 THR1178 ARG1179 ILE1180 VAL1181 ASP1182 GLU1183 TRP1184 GLU1195 PRO1196 GLN1212 THR1216 ASN1217

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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