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Entry information

Complex
AACDB_ID: 1584
PDBID: 5MVZ
Chains: AB_V
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.15
Reference: Not available or To be published
Antibody
Antibody: 4AB007 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Interleukin-1 beta
Antigen mutation: No
Durg Target: P01584

Sequence information

Antibody

Heavy Chain: A
Mutation: NULL

>5MVZ_A|Chain A, D[auth H]|Fab 4AB007 H-chain|Homo sapiens (9606)
MGSTAILALLLAVLQGVCAEVQLVESGAEVKKPGESLKISCKGSGYTFTSYWIGWVRQMPGKGLEWMGIIYPGDSDTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARFVSLDAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC

Light Chain: B
Mutation: NULL

>5MVZ_B|Chain B, E[auth L]|Fab 4AB007 L-chain|Homo sapiens (9606)
MEAPAQLLFLLLLWLPDTTGEIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWLWTFGQGTKVEIKRSVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECENLYFQGHHHHHHHH

Antigen

Chain: V
Mutation: NULL

>5MVZ_V|Chain C[auth U], F[auth V]|Interleukin-1 beta|Homo sapiens (9606)
MAHHHHHHHHHHHHPAGENLYFQGAPVRSLNCTLRDSQQKSLVMSGPYELKALHLQGQDMEQQVVFSMSFVQGEESNDKIPVALGLKEKNLYLSCVLKDDKPTLQLESVDPKNYPKKKMEKRFVFNKIEINNKLEFESAQFPNWYISTSQAENMPVFLGGTKGGQDITDFTMQFVSS

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)

Chain residues position delta_SASA : residuesposition

A: THR28 THR30 SER31 TYR32 TRP33 TYR52 GLY54 ASP55 ASP57 ARG59 LYS74 PHE99 VAL100 SER101 LEU102 ASP103

B: TYR32 TYR49 ASP50 ASN53 ARG91 ASN93 TRP94 TRP96

V: MET20 SER21 GLY22 PRO23 TYR24 GLU25 LYS27 GLU64 LYS65 ASN66 LEU67 LYS74 ASP75 THR79 GLN81 LEU82 GLU83 SER84 VAL85 ASP86 PRO87

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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