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Entry information

Complex
AACDB_ID: 7321
PDBID: 7PA6
Chains: A_K
Organism: Homo sapiens, JC polyomavirus
Method: XRD
Resolution (Å): 1.90
Reference: Not available or To be published
Antibody
Antibody: 27C11 scFv
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: JC polyomavirus major capsid protein VP1
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Chain: A
Mutation: NULL

>7PA6_A|Chain A[auth KKK], B[auth LLL], C[auth MMM], D[auth NNN], E[auth OOO], F[auth PPP], G[auth QQQ], H[auth RRR], I[auth SSS], J[auth TTT]|scFv 27C11 antibody heavy chain|Homo sapiens (9606)
MDIQMTQSPSSLSASVGDRVTITCRASQGISSYLNWYQQKPGKAPKLLISATSDLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPYTFGQGTKLEIKGGGGSGGGGSGGGGSQVQLQESGPGLVKPSGTLSLTCAVSGDSISSSNWWSWVRQPPGKGLEWIGEIYHSGGTKYNPSLKSRVTISVDKSKNHFSLKLRSVTAADTAVYYCARNRWFDNNRGGYYYYGMDVWGQGTTVTVSSLVP

Antigen

Chain: K
Mutation: NULL

>7PA6_K|Chain K[auth AAA], L[auth BBB], M[auth CCC], N[auth DDD], O[auth EEE], P[auth FFF], Q[auth GGG], R[auth HHH], S[auth III], T[auth JJJ]|Major capsid protein VP1|JC polyomavirus (10632)
GSHMGGVEVLEVKTGVDSITEVECFLTPEMGDPDEHLRGFSKSISISDTFESDSPNRDMLPCYSVARIPLPNLNEDLTCGNILMWEAVTLKTEVIGVTSLMNVHSNGQATHDNGAGKPVQGTSFHFFSVGGEALELQGVLFNYRTKYPDGTIFPKNATVQSQVMNTEHKAYLDKNKAYPVECWVPDPTRNENTRYFGTLTGGENVPPVLHITNTATTVLLDEFGVGPLCKGDNLYLSAVDVCGMFTNRSGSQQWRGLSRYFKVQLRKRRVKN

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: SER153 SER155 TRP157 TYR176 SER178 GLY180 THR181 LYS182 TRP224 PHE225 ASP226 ASN228 ARG229 GLY230 GLY231 TYR232 TYR233 TYR235

K: LYS42 SER43 ILE44 SER45 ILE46 SER47 ASP48 THR49 GLU51 SER52 SER54 PRO55 ASN56 ARG144 LYS146 SER249 SER251

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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