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Entry information

Complex
AACDB_ID: 2202
PDBID: 6FG2
Chains: FG_L
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.79
Reference: 10.1038/s41591-019-0568-2
Antibody
Antibody: anti-idiotype NAA84 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Natalizumab Fab light chain
Antigen mutation: No
Durg Target: P01834

Sequence information

Antibody

Heavy Chain: F
Mutation: NULL

>6FG2_F|Chain A[auth D], C[auth F]|HEAVY CHAIN FAB NAA84|Homo sapiens (9606)
EVQLVESGGGLVKPGGSLRLSCAASGFTFSSYSMSWVRQAPGKGLEWVSSISRSTPYIYYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARDLWSPDSNYYDQSAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTENLYFQ

Light Chain: G
Mutation: NULL

>6FG2_G|Chain B[auth E], D[auth G]|LIGHT CHAIN FAB NAA84|Homo sapiens (9606)
SSELTQDPAVSVALGQTVRITCQGDSLRSNYASWYQQKPGQAPLLVIYGKNYRPSGIPDRFSGSYSGNTASLTISGAQAEDEADYYCNSRDSSGDHPVVFGGGTNLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: L
Mutation: NULL

>6FG2_L|Chain G[auth L], H[auth M]|LIGHT CHAIN FAB NATALIZUMAB|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCKTSQDINKYMAWYQQTPGKAPRLLIHYTSALQPGIPSRFSGSGSGRDYTFTISSLQPEDIATYYCLQYDNLWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG

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)

F: SER30 SER31 TYR32 ARG53 SER54 TRP101 ASP104 SER105 ASN106 TYR107

L: ASN30 TYR32 TYR50 TYR91 ASP92 ASN93 LEU94 TRP95

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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