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Entry information

Complex
AACDB_ID: 3464
PDBID: 7CHZ
Chains: HL_I
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.50
Reference: 10.1016/j.jmb.2020.166766
Antibody
Antibody: IgG26A 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

>7CHZ_H|Chain B[auth H]|heavy chain of antibody binding fragment of IgG26A|Homo sapiens (9606)
EVQLVESGGGLVQPGGSLRLSCAASGFTIKDMAIHWVRQAPGKGLEWVARIWPREGFTYYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARFNGYWNYIMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKAEPKSCDKTH

Light Chain: L
Mutation: NULL

>7CHZ_L|Chain A[auth L]|light chain of antibody binding fragment of IgG26A|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCRASQDVSWGVAWYQQKPGKAPKLLIYSTASLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYSNFPITFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: I
Mutation: NULL

>7CHZ_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: ASP28 VAL29 SER30 TRP31 GLY32 SER50 ALA52 SER53 TYR91 SER92 ASN93 PHE94

H: HIS35 ARG50 TRP52 GLU55 GLY56 PHE57 THR58 TYR59 TYR60 ASP62 LYS65 PHE99 GLY101 TYR102 ILE106

I: SER130 GLN131 GLN132 LYS133 VAL136 LYS144 LEU146 HIS147 LEU148 GLN149 ASP152 GLN155 GLN243 ALA244 GLU245 ASN246 MET247 PRO248 GLY257 GLN258 ASP259 ILE260

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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