Details

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Entry information

Complex
AACDB_ID: 6622
PDBID: 3H42
Chains: HL_B
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.30
Reference: 10.1073/pnas.0903849106
Antibody
Antibody: 1 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Proprotein convertase subtilisin/kexin type 9 (PCSK9)
Antigen mutation: Yes
Durg Target: Q8NBP7

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>3H42_H|Chain D[auth H]|Fab from LDLR competitive antibody: Heavy chain|Homo sapiens (9606)
EVQLVESGGGLVKPGGSLRLSCAASGFTFSSYSMNWVRQAPGKGLEWVSSISSSSSYISYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYFCARDYDFWSAYYDAFDVWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCAADEVDHHHHHH

Light Chain: L
Mutation: NULL

>3H42_L|Chain C[auth L]|Fab from LDLR competitive antibody: Light chain|Homo sapiens (9606)
ESVLTQPPSVSGAPGQRVTISCTGSSSNIGAGYDVHWYQQLPGTAPKLLISGNSNRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDSSLSGSVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: B
Mutation: N381A

>3H42_B|Chain B|Proprotein convertase subtilisin/kexin type 9|Homo sapiens (9606)
SIPWNLERITPPRYRADEYQPPDGGSLVEVYLLDTSIQSDHREIEGRVMVTDFENVPEEDGTRFHRQASKCDSHGTHLAGVVSGRDAGVAKGASMRSLRVLNCQGKGTVSGTLIGLEFIRKSQLVQPVGPLVVLLPLAGGYSRVLNAACQRLARAGVVLVTAAGNFRDDACLYSPASAPEVITVGATNAQDQPVTLGTLGTNFGRCVDLFAPGEDIIGASSDCSTCFVSQSGTSQAAAHVAGIAAMMLSAEPELTLAELRQRLIHFSAKDVINEAWFPEDQRVLTPNLVAALPPSTHGAGWQLFCRTVWSAHSGPTRMATAIARCAPDEELLSCSSFSRSGKRRGERMEAQGGKLVCRAHNAFGGEGVYAIARCCLLPQAACSVHTAPPAEASMGTRVHCHQQGHVLTGCSSHWEVEDLGTHKPPVLRPRGQPNQCVGHREASIHASCCHAPGLECKVKEHGIPAPQGQVTVACEEGWTLTGCSALPGTSHVLGAYAVDNTCVVRSRDVSTTGSTSEEAVTAVAICCRSRHLAQASQELQ

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: LEU48 SER51 ASN55 TYR93 SER98

H: THR28 SER30 SER31 TYR32 SER54 SER55 SER56 TYR57 ILE58 SER59 TYR60 ASN74 ALA75 ARG98 TYR100 PHE102 TRP103 SER104 ALA105 TYR106 TYR107 ASP108 ASP111

B: THR187 ASP212 THR214 ARG215 PHE216 HIS217 ALA220 SER221 LYS222 SER225 HIS226 CYS255 GLN256 GLY257 LYS258 ASN317 PHE318 THR347 LEU348 GLY349 THR350 LEU351 GLU366 ASP367 ASP374 VAL380 SER381 GLN382 SER383

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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