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Entry information

Complex
AACDB_ID: 344
PDBID: 2R56
Chains: HL_A
Organism: Bos taurus, Homo sapiens
Method: XRD
Resolution (Å): 2.80
Reference: 10.1016/j.str.2007.09.012
Antibody
Antibody: 2R56 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Beta-lactoglobulin
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>2R56_H|Chain C[auth H], F[auth I]|IgE Fab Fragment, heavy chain|Homo sapiens (9606)
QVSLRESGGGLVQPGRSLRLSCTASGFTFRHHGMTWVRQAPGKGLEWVASLSGSGTKTHFADSVKGRFTISRDNSNNTLYLQMDNVRDEDTAIYYCAKAKRVGATGYFDLWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKAEP

Light Chain: L
Mutation: NULL

>2R56_L|Chain B[auth L], E[auth M]|IgE Fab Fragment, light chain|Homo sapiens (9606)
DIVMTQSPSSLSASVGDRVTITCRASQGISSRLAWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTEFTLTISSLQPEDFATYYCQQYHSYPWTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR

Antigen

Chain: A
Mutation: NULL

>2R56_A|Chain A, D[auth B]|Beta-lactoglobulin|Bos taurus (9913)
LIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI

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)

L: SER30 SER31 ARG32 TYR49 ALA50 ALA51 SER52 SER53 LEU54 GLY66 TYR91 HIS92

H: ARG30 HIS31 SER52 GLY53 SER54 THR56 LYS57 LYS100 ARG101 VAL102 GLY103 ALA104 TYR107

A: THR18 TRP19 TYR20 VAL43 GLU44 GLU45 LYS47 GLU55 LEU57 GLN59 GLU65 CYS66 ALA67 GLN68 LYS69 LYS70 THR125 PRO126 GLU127 PRO153 THR154 LEU156 GLU157 GLU158 GLN159 HIS161 ILE162

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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