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Entry information

Complex
AACDB_ID: 2198
PDBID: 6FG1
Chains: AD_L
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.03
Reference: 10.1038/s41591-019-0568-2
Antibody
Antibody: anti-idiotype NAA32 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Natalizumab Fab light chain
Antigen mutation: No
Durg Target: P01834

Sequence information

Antibody

Heavy Chain: A
Mutation: NULL

>6FG1_A|Chain A|HEAVY CHAIN OF FAB NAA32|Homo sapiens (9606)
QVHLVQSGAEVKKPGASVKVSCKASGYTFTSYTMHWVRQAPGQRLEWMGWINAGHGTTKYSQKFQGRVTITRDTSASTAYMELSSLRSEDTAVYYCARPTSEGVAGPSRYYWYFDLWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTENLYFQ

Light Chain: D
Mutation: NULL

>6FG1_D|Chain B[auth D]|LIGHT CHAIN OF FAB NAA32|Homo sapiens (9606)
EIVMTQSPATLSVSPGERATLSCRASQSVSSNLAWYQQKPGQAPRLLIYGASTRATGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQYNNWPPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHEGLSSPVTKSFNRGEC

Antigen

Chain: L
Mutation: NULL

>6FG1_L|Chain D[auth L]|LIGHT CHAIN OF FAB NATALIZUMAB|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCKTSQDINKYMAWYQQTPGKAPRLLIHYTSALQPGIPSRFSGSGSGRDYTFTISSLQPEDIATYYCLQYDNLWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

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)

A: GLY56 THR57 THR58 LYS59 TYR60 GLN62 GLN65 GLY66

D: PRO95

L: GLN27 ASP28 ASN30 TYR32 TYR50 TYR91 ASP92 ASN93

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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