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Entry information

Complex
AACDB_ID: 764
PDBID: 4IJ3
Chains: CB_A
Organism: Homo sapiens, Mus musculus
Method: XRD
Resolution (Å): 2.70
Reference: 10.1016/j.jmb.2013.07.011
Antibody
Antibody: 492.1 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Sulfhydryl oxidase 1
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>4IJ3_C|Chain C|Heavy chain of FAB fragment|Mus musculus (10090)
QVQLKQSGPGLVAPSQSLSITCTVSGFSLTGYGVNWVRQSPGKGLEWLGMIWGDGRTDYKSALKSRLSITKDNSKSQVFLKMNSLQTDDTARYFCASDYYGSGSFAYWGQGTLVTVSAAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLESDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDCG

Light Chain: B
Mutation: NULL

>4IJ3_B|Chain B|Light chain of FAB fragment|Mus musculus (10090)
DVVMTQSHKFMSTSVGDRVSITCKASQDVSTAVAWYQQKSGQSPKLLIHSASYRYTGVPDRFTGSGSGTDFTFTISSVQAEDLAVYYCQQHYSIPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: A
Mutation: NULL

>4IJ3_A|Chain A|Sulfhydryl oxidase 1|Homo sapiens (9606)
GSHMSALYSPSDPLTLLQADTVRGAVLGSRSAWAVEFFASWCGHCIAFAPTWKALAEDVKAWRPALYLAALDCAEETNSAVCRDFNIPGFPTVRFFKAFTKNGSGAVFPVAGADVQTLRERLIDALESHHDTWPPACPPLEPAKLEEIDGFFARNNEEYLALIFEKGGSYLGREVALDLSQHKGVAVRRVLNTEANVVRKFGVTDFPSCYLLFRNGSVSRVPVLMESRSFYTAYLQRLSGLTRE

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)

B: SER30 THR31 ALA32 HIS49 SER50 TYR53 HIS91 TYR92 SER93 ILE94 LEU96

C: THR30 GLY31 TYR32 MET50 TRP52 GLY53 ASP54 ARG56 ASP98 TYR99 TYR100 GLY101 SER102 GLY103

A: TRP69 CYS70 GLY71 HIS72 ALA75 PHE76 CYS101 CYS110 ARG111 ASN114 ILE115 PRO116 GLY117 PHE118 PRO119 THR120 ARG122 SER132 GLY133 ALA134 VAL135 PRO137 VAL138 ALA139 GLY140 ARG149

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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