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Entry information

Complex
AACDB_ID: 7179
PDBID: 5OCA
Chains: HL_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.30
Reference: 10.1038/s41467-017-00568-7
Antibody
Antibody: Evolocumab Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Proprotein convertase subtilisin/kexin type 9 (PCSK9)
Antigen mutation: No
Durg Target: Q8NBP7

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>5OCA_H|Chain C[auth H]|Fab from LDLR competitive antibody: Heavy chain|Homo sapiens (9606)
EVQLVESGGGLVKPGGSLRLSCAASGFTFSSYSMNWVRQAPGKGLEWVSSISSSSSYISYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYFCARDYDFWSAYYDAFDVWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCAADEVDHHHHHH

Light Chain: L
Mutation: NULL

>5OCA_L|Chain D[auth L]|Fab from LDLR competitive antibody: Light chain|Homo sapiens (9606)
ESVLTQPPSVSGAPGQRVTISCTGSSSNIGAGYDVHWYQQLPGTAPKLLISGNSNRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDSSLSGSVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>5OCA_A|Chain A|Proprotein convertase subtilisin/kexin type 9|Homo sapiens (9606)
GAMGQEDEDGDYEELVLALRSEEDGLAEAPEHGTTATFHRCAKDPWRLPGTYVVVLKEETHLSQSERTARRLQAQAARRGYLTKILHVFHGLLPGFLVKMSGDLLELALKLPHVDYIEEDSSVFAQ

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)

H: TYR100 PHE102 TRP103 SER104 ALA105

L: ALA31 GLY32 TYR33

A: PRO71 TRP72 PHE150 ALA151 GLN152

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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