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Entry information

Complex
AACDB_ID: 1199
PDBID: 5BJZ
Chains: CL_A
Organism: Escherichia coli O157
Method: XRD
Resolution (Å): 1.95
Reference: 10.1074/jbc.RA117.000656
Antibody
Antibody: 5BJZ synthetic-Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Maltose binding periplasmic protein
Antigen mutation: No
Durg Target: P0AEX9

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>5BJZ_C|Chain B[auth C], E[auth D]|Synthetic antibody, Fab fragment, Heavy Chain|Homo sapiens (9606)
EISEVQLVESGGGLVQPGGSLRLSCAASGFNLSSSSIHWVRQAPGKGLEWVASIYSYYGSTSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCAREYHSYWSYSWWPRVGLDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT

Light Chain: L
Mutation: NULL

>5BJZ_L|Chain C[auth H], F[auth L]|Synthetic antibody, Fab fragment, Light Chain|Homo sapiens (9606)
SDIQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQASLTALLTFGQGTKVEIKRTVAAPSVFIFPPSDSQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>5BJZ_A|Chain A, D[auth B]|Maltose-binding periplasmic protein|Escherichia coli O157:H7 (83334)
MKHHHHHHHHHHSSDYKDDDDKGENLYFQGSKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTN

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)

C: TYR55 SER56 TYR57 TYR58 SER60 HIS104 SER105 TYR106 TRP107 SER108 TYR109 SER110 TRP111 TRP112 PRO113

L: GLN28 SER29 VAL30 SER31 SER32 ALA33 SER51 ALA52 SER53 SER54 ARG67 GLY69 THR70 SER93 LEU94 THR95 ALA96

A: TYR90 PRO91 PHE92 ASP95 ALA96 ARG98 GLY101 GLY165 TYR167 TYR171 GLY174 LYS175 TYR176 PRO254 LYS256 VAL259 ALA301 LYS305 GLU308 GLU309 LEU311 ALA312 PRO315 ILE317 ALA318 ALA319 MET321 GLU322 ALA324 GLN325 LYS326 GLY327 GLU328 ILE329 ILE333

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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