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Entry information

Complex
AACDB_ID: 6952
PDBID: 4M1G
Chains: HL_A
Organism: Mus musculus, Vaccinia virus
Method: XRD
Resolution (Å): 1.60
Reference: 10.1371/journal.ppat.1005148
Antibody
Antibody: A27D7 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Vaccinia virus A33
Antigen mutation: Yes
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>4M1G_H|Chain B[auth H]|Murine IgG2a A27D7 Heavy chain Fab domain|Mus musculus (10090)
QVQLKESGPGLVAPSQSLSITCTVSGFSLTDYGVSWIRQPPGKGLEWLGVTWGGGTTYYNSALKSRLSISKDNSKSQVFLKMNSLQTDDTAMYYCAKHKASYNGLDYWGQGTTLTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGP

Light Chain: L
Mutation: NULL

>4M1G_L|Chain A[auth L]|Murine IgG2a A27D7 Light chain Fab domain|Mus musculus (10090)
ELVLTQSPTTMAASPGEKITITCSASSSISSNYLHWYQQKPGFSPKLLIYRTSNLASGVPARFSGSGSGTSYSLTIGTMEAEDVATYYCQQGSSIPFTFGSGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: A
Mutation: S1M/L30M/K35A/L52M

>4M1G_A|Chain C[auth A], D[auth B]|A33R|Vaccinia virus (10245)
MSTTQYDHKESCNGLYYQGSCYILHSDYQMFSDAAANCTAESSTLPNKSDVMITWLIDYVEDTWGSDGNPITKTTSDYQDSDVSQEVRKYFCVKTMN

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)

L: ASN32 TYR50 ARG51 ASN54 LEU55 ALA56 SER57 GLY58 VAL59 ALA61

H: GLN1 VAL2 GLY26 PHE27 ASP31 TYR32 LYS97 LYS99 ALA100 SER101 TYR102 TYR107

A: TYR116 THR142 GLU149 ASP150 THR160 LYS161 THR162 THR163 GLN167 ASP168 ASP170 VAL171 SER172 GLN173 VAL175 ARG176 LYS177

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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