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Entry information

Complex
AACDB_ID: 565
PDBID: 3KJ6
Chains: HL_A
Organism: Homo sapiens, Mus musculus
Method: XRD
Resolution (Å): 3.40
Reference: 10.1038/nature08650
Antibody
Antibody: 3KJ6 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Beta-2 adrenergic receptor
Antigen mutation: No
Durg Target: P07550

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>3KJ6_H|Chain C[auth H]|Fab heavy chain|Mus musculus (10090)
EVQLQQSGAELARPGASVKLSCKASGYIFTDYYINWVRQRTGQGFEWIGEIYPGSGNIDYNERFKDKATLTADKSSSTAYMQLSSLTSEDSAVYFCVRGFGYWGQGTTLTVSSAKTTPPSVYPLAPGSAAQTNSAVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDCGC

Light Chain: L
Mutation: NULL

>3KJ6_L|Chain B[auth L]|Fab light chain|Mus musculus (10090)
DIKMTQSPSSMYASLGERVTITCKASQDINSYLSWFQQKPGKSPKTLIYRANRLVDGVPSRFIGTGSGQDYSLTISSLDYADMGIYYCLQYDEFPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: A
Mutation: NULL

>3KJ6_A|Chain A|Beta-2 adrenergic receptor|Homo sapiens (9606)
GFGQPGNGSAFLLAPNRSHAPDHDVTQQRDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYAEETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSG

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: TYR32 SER34 THR46 TYR49 ARG50 VAL55 ASP56 TYR91 ASP92 GLU93 PHE94 TYR96

H: ASP31 TYR32 TYR33 GLU50 TYR52 GLY54 SER55 ASN57 LYS74 ARG98 GLY99 PHE100 GLY101

A: LEU230 GLN231 ILE233 ASP234 LYS235 SER236 GLU237 GLY238 ARG239 PHE240 HIS241 VAL242 CYS265 LEU266 LYS267 HIS269 LYS270 ARG333

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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