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Entry information

Complex
AACDB_ID: 6655
PDBID: 3PGF
Chains: HL_A
Organism: Escherichia coli K-12, Homo sapiens
Method: XRD
Resolution (Å): 2.10
Reference: 10.1038/nsmb.2002
Antibody
Antibody: 3PGF Fab
Antibody mutation: Yes
INN (Clinical Trial):
Antigen
Antigen: Maltose-binding periplasmic protein (MBP)
Antigen mutation: No
Durg Target: P0AEX9

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>3PGF_H|Chain B[auth H]|SAB Heavy Chain|Homo sapiens (9606)
EISEVQLVESGGGLVQPGGSLRLSCAASGFNFSSSYIHWVRQAPGKGLEWVAYISSYSGYTSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARTPWWYWSGLDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT

Light Chain: L
Mutation: F124S

>3PGF_L|Chain C[auth L]|SAB Light Chain|Homo sapiens (9606)
SDIQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQSSYIPVTFGQGTKVEIKRTVAAPSVFIFPPSDSQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>3PGF_A|Chain A|Maltose-binding periplasmic protein|Escherichia coli (83333)
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)

H: ASN28 SER31 TYR33 HIS35 TYR50 TYR53 SER54 TYR56 THR95 PRO96 TRP97 TRP98 TYR99

L: SER28 SER30 SER31 ALA32 TYR49 SER50 ARG66 SER91 SER92 TYR93 ILE94 VAL96

A: HIS64 LYS83 ASP87 TYR90 PRO91 PHE92 THR93 ASP95 ALA96 ARG98 GLY101 VAL110 VAL259 VAL261 ALA301 VAL302 LYS305 GLU308 GLU309 LYS313 MET321 ALA324 GLN325 GLY327 GLU328 ILE329 MET330 PRO331 ASN332

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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