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Entry information

Complex
AACDB_ID: 6683
PDBID: 3S88
Chains: HL_J
Organism: Mus musculus, Sudan ebolavirus
Method: XRD
Resolution (Å): 3.35
Reference: 10.1038/nsmb.2150
Antibody
Antibody: 16F6 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Sudan Ebolavirus envelope glycoprotein (strain Gulu)
Antigen mutation: Yes
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>3S88_H|Chain A[auth H]|16F6 - Heavy chain|Mus musculus (10090)
EVQLVESGGGLVTPGGSLKLSCAASGFAFNYYDMFWVRQNTEKRLEWVAYINSGGGNTYYPDTVKGRFTISRDNAKKTLFLQMSSLRSEDTAMYYCARQLYGNSFFDYWGQGTSLTVSAAKTTPPSVYPLAPGSAAAAASMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVTCNVAHPASSTKVDKKIVPAD

Light Chain: L
Mutation: NULL

>3S88_L|Chain D[auth L]|16F6 - Light chain|Mus musculus (10090)
DIVMTQSHKFMSTSVGDRVTITCKASQDVTTAVAWYQQKPGHSPKLLIYWASTRHTGVPDRFTGSGSGTAFTLTLNSVQAEDLALYYCQQHYSTPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRN

Antigen

Chain: J
Mutation: I159V/Q166V

>3S88_J|Chain C[auth J]|Envelope glycoprotein|Sudan ebolavirus (186540)
PQESTSNGLITSTVTGILGSLGLRKRSRRQTNTKATGKCNPNLHYWTAQEQHNAAGIAWIPYFGPGAEGIYTEGLMHNQNALVCGLRQLANETTQALQLFLRATTELRTYTILNRKAIDFLLRRWGGTCRILGPDCCIEPHDWTKNITDKINQIIHDFVDNPLPNVD

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)

Chain residues position delta_SASA : residuesposition

H: TYR31 ASP33 SER53 GLN99 LEU100 TYR101 GLY102 ASN103

L: THR31 TYR49 TRP50 SER52 THR53

J: PRO513 ASN550 GLN551 ASN552 ALA553 CYS556 GLY557 GLN560 LEU561 GLU564

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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