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Entry information

Complex
AACDB_ID: 3463
PDBID: 7CHY
Chains: HL_I
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.65
Reference: 10.1016/j.jmb.2020.166766
Antibody
Antibody: IgG26 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Interleukin-1 beta
Antigen mutation: No
Durg Target: P01584

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7CHY_H|Chain B[auth H]|heavy chain of antibody binding fragment of IgG26|Homo sapiens (9606)
EVQLVESGGGLVQPGGSLRLSCAASGFTINGYSIHWVRQAPGKGLEWVARIWPYGGFTYYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARFNGYWNYIMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKAEPKSCDKLHHHHHHHH

Light Chain: L
Mutation: NULL

>7CHY_L|Chain A[auth L]|light chain of antibody binding fragment of IgG26|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCRASQDVSWGVAWYQQKPGKAPKLLIYSTASLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYSNFPITFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: I
Mutation: NULL

>7CHY_I|Chain C[auth I]|Interleukin-1 beta|Homo sapiens (9606)
LGSRAPVRSLNCTLRDSQQKSLVMSGPYELKALHLQGQDMEQQVVFSMSFVQGEESNDKIPVALGLKEKNLYLSCVLKDDKPTLQLESVDPKNYPKKKMEKRFVFNKIEINNKLEFESAQFPNWYISTSQAENMPVFLGGTKGGQDITDFTMQFVSS

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: GLN27 ASP28 VAL29 SER30 TRP31 GLY32 SER50 ALA52 TYR91 SER92 ASN93 PHE94

H: HIS35 ARG50 TRP52 TYR54 GLY55 GLY56 PHE57 THR58 TYR59 TYR60 LYS65 PHE99 GLY101 TYR102 ILE106

I: GLN130 GLN131 LYS132 VAL135 SER137 LEU145 HIS146 LEU147 GLN148 ASP151 GLN154 GLN242 ALA243 GLU244 ASN245 MET246 PRO247 GLY256 GLN257 ASP258 ILE259

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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