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Entry information

Complex
AACDB_ID: 5711
PDBID: 7Z4T
Chains: HL_I
Organism: Homo sapiens
Method: XRD
Resolution (Å): 3.30
Reference: 10.1038/s42003-023-05369-x
Antibody
Antibody: AAL160 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Human interleukin-1 beta
Antigen mutation: No
Durg Target: P01584

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7Z4T_H|Chain A[auth H]|AAL160 Fab heavy-chain|Homo sapiens (9606)
EVQLVQSGAEVKKPGESLKISCKGSGYSFTSYWIGWVRQMPGKGLEWMGIIYPSDSDTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARYTNWDAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTH

Light Chain: L
Mutation: NULL

>7Z4T_L|Chain C[auth L]|AAL160 light-chain|Homo sapiens (9606)
EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWMFPFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: I
Mutation: NULL

>7Z4T_I|Chain B[auth I]|Interleukin-1 beta|Homo sapiens (9606)
APVRSLNCTLRDSQQKSLVMSGPYELKALHLQGQDMEQQVVFSMSFVQGEESNDKIPVALGLKEKNLYLSCVLKDDKPTLQLESVDPKNYPKKKMEKRFVFNKIEINNKLEFESAQFPNWYISTSQAENMPVFLGGTKGGQDITDFTMQFVSS

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: SER28 THR30 SER31 TYR32 TRP33 ILE50 TYR52 SER54 ASP55 ASP57 ARG59 TYR99 THR100 ASN101 TRP102 ASP103

L: SER30 SER31 TYR32 ASP50 ARG91 ASN93 TRP94 PHE96

I: MET20 SER21 GLY22 PRO23 TYR24 GLU25 LYS27 LYS63 GLU64 LYS65 ASN66 LEU67 LYS74 ASP75 THR79 GLN81 LEU82 GLU83 SER84 VAL85 ASP86 PRO87 ASN129 MET130 PRO131

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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