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Entry information

Complex
AACDB_ID: 1370
PDBID: 5GGR
Chains: HL_Z
Organism: Homo sapiens
Method: XRD
Resolution (Å): 3.30
Reference: 10.1038/ncomms13354
Antibody
Antibody: nivolumab Fab
Antibody mutation: No
INN (Clinical Trial): Nivolumab(Approved)
Antigen
Antigen: Programmed cell death protein 1
Antigen mutation: No
Durg Target: Q15116

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>5GGR_H|Chain A, C[auth H]|heavy chain|Homo sapiens (9606)
QVQLVESGGGVVQPGRSLRLDCKASGITFSNSGMHWVRQAPGKGLEWVAVIWYDGSKRYYADSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCATNDDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHHHHHH

Light Chain: L
Mutation: NULL

>5GGR_L|Chain B, D[auth L]|light chain|Homo sapiens (9606)
EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQSSNWPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: Z
Mutation: NULL

>5GGR_Z|Chain E[auth Y], F[auth Z]|Programmed cell death protein 1|Homo sapiens (9606)
DSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDSRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAE

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

H: ILE27 THR28 SER30 ASN31 SER32 GLY33 VAL50 TRP52 TYR53 ASN99 ASP100 ASP101 TYR102

L: LEU46 TYR49 ALA55 THR56 TRP94

Z: SER27 PRO28 ASP29 ARG30 PRO31 SER60 GLU61 SER127 LEU128 ALA129 PRO130 LYS131 ALA132 GLN133 ILE134

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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