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Entry information

Complex
AACDB_ID: 418
PDBID: 3B2U
Chains: CD_B
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.58
Reference: 10.1016/j.str.2007.11.009
Antibody
Antibody: IMC-11F8 Fab
Antibody mutation: No
INN (Clinical Trial): Necitumumab(Approved)
Antigen
Antigen: Epidermal growth factor receptor
Antigen mutation: No
Durg Target: Q504U8; P00533;

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>3B2U_C|Chain B[auth C], E[auth F], H, K[auth J], N, Q, T, W|IMC-11F8 Fab Heavy chain|Homo sapiens (9606)
QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS

Light Chain: D
Mutation: NULL

>3B2U_D|Chain A[auth D], D[auth G], G[auth K], J[auth L], M[auth O], P[auth R], S[auth U], V[auth X]|IMC-11F8 Fab Light chain|Homo sapiens (9606)
EIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA

Antigen

Chain: B
Mutation: NULL

>3B2U_B|Chain C[auth A], F[auth B], I[auth E], L[auth I], O[auth M], R[auth P], U[auth S], X[auth V]|Epidermal growth factor receptor|Homo sapiens (9606)
LEEKKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKHHHHHH

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)

D: GLU1 ILE2 GLN27 TYR32 ASP50 TYR91 GLY92 SER93 THR94 LEU96

C: GLY32 ASP33 TYR35 TYR52 TYR54 TYR55 SER56 GLY57 SER58 THR59 ASP60 VAL100 ILE102 PHE103 GLY104 VAL105 GLY106

B: LEU348 PRO349 ARG353 GLN384 ALA385 GLU388 GLN408 HIS409 GLN411 PHE412 ALA415 VAL417 SER418 ILE438 SER440 GLY441 LYS443 THR464 LYS465 ILE466 ILE467 SER468 ASN469 ARG470 GLY471 GLU472 ASN473

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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