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Entry information

Complex
AACDB_ID: 1065
PDBID: 4XPH
Chains: HL_A
Organism: Drosophila melanogaster, Mus musculus
Method: XRD
Resolution (Å): 2.90
Reference: 10.1038/nature14431
Antibody
Antibody: 9D5 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Transporter
Antigen mutation: Yes
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>4XPH_H|Chain C[auth H]|Antibody fragment heavy chain|Mus musculus (10090)
EVQLVESGGGLVKPGGSLKLSCAASGFTFSSYAMSWVRQSPEKRLEWVAEISSGGRYIYYSDTVTGRFTISRDNARNILHLEMSSLRSEDTAMYYCARGEVRQRGFDYWGQGTTLTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPR

Light Chain: L
Mutation: NULL

>4XPH_L|Chain B[auth L]|Antibody fragment light chain|Mus musculus (10090)
ENVLTQSPAIMSTSPGEKVTMTCRASSSVGSSYLHWYQQKSGASPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISSVEAEDAATYYCQQFSGYPLTFGSGTKLEMKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIEGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNE

Antigen

Chain: A
Mutation: V50A/D97G/L350A/G361M

>4XPH_A|Chain A|Transporter|Drosophila melanogaster (7227)
DERETWSGKVDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYGIMLAVGGIPLFYMELALGQHNRKGAITCWGRLVPLFKGIGYAVVLIAFYVGFYYNVIIAWSLRFFFASFTNSLPWTSCNNIWNTPNCRPFEGHVEGFQSAASEYFNRYILELNRSEGIHDLGAIKWDMALCLLIVYLICYFSLWKGISTSGKVVWFTALFPYAVLLILLIRGLTLPGSFLGIQYYLTPNFSAIYKAEVWVDAATQVFFSLGPGFGVLLAYASYNKYHNNVYKDALLTSFINSATSFIAGFVIFSVLGYMAHTLGVRIEDVATEGPGLVFVVYPAAIATMPASTFWALIFFMMLATLGLDSSFGGMEAIITALSDEFPKIKRNRELFVAGLFSLYFVVGLASCTQGGFYFFHLLDRYAAGYSILVAVFFEAIAVSWIYGTNRFSEDIRDMIGFPPGRYWQVCWRFVAPIFLLFITVYGLIGYEPLTYADYVYPSWANALGWCIAGSSVVMIPAVAIFKLLSTPGSLRQRFTILTTPWRD

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: TYR33 PHE92 TYR95

H: SER31 ALA33 GLU50 SER52 SER53 GLY54 ARG56 TYR57 TYR59 GLU100 VAL101 ARG102 GLN103

A: HIS90 TYR337 HIS338 TYR498 ASN501 ARG502 GLU505 ASP506 ARG508 ASP509 MET510 ILE511 GLY512 PHE513 PRO514 ARG517 ASP599

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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