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Entry information

Complex
AACDB_ID: 2250
PDBID: 6GV1
Chains: HL_A
Organism: Escherichia coli K-12, Mus musculus
Method: XRD
Resolution (Å): 3.40
Reference: 10.1038/s41467-018-06306-x
Antibody
Antibody: YN1074 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Major Facilitator Superfamily multidrug/H+ antiporter MdfA from E.col
Antigen mutation: No
Durg Target: C9EH48

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6GV1_H|Chain B[auth H]|Fab fragment YN1074 heavy chain|Mus musculus (10090)
EVQLKESGPGLVAPSQSLSITCTVSGFSFSIYGLHWVRQPPGKGLEWLGMIWGGGRTDYNSALKSRLSISKDNSKSQVFLKMKSLQTDDTAMYYCARNSGYGNLAYWGQGTLVTVSAAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPSGPISTINPCPPCKECHKCP

Light Chain: L
Mutation: NULL

>6GV1_L|Chain C[auth L]|Fab fragment YN1074 light chain|Mus musculus (10090)
DIVMTQSPSSLSASLGERVSLTCRASQDIGYSLNWLQQEPDGTIKRLIYATSNLDSGVPKRFSGSRSGSDYSLTISSLESEDFVDYYCLQYASSPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: A
Mutation: NULL

>6GV1_A|Chain A|Major Facilitator Superfamily multidrug/H+ antiporter MdfA from E.coli|Escherichia coli K-12 (83333)
MQNKLASGARLGRQALLFPLCLVLYEFSTYIGNDMIQPGMLAVVEQYQAGIDWVPTSMTAYLAGGMFLQWLLGPLSDRIGRRPVMLAGVVWFIVTCLAILLAQNIEQFTLLRFLQGISLCFIGAVGYAAIQESFEEAVCIKITALMANVALIAPLLGPLVGAAWIHVLPWEGMFVLFAALAAISFFGLQRAMPETATRIGEKLSLKELGRDYKLVLKNGRFVAGALALGFVSLPLLAWIAQSPIIIITGEQLSSYEYGLLQVPIFGALIAGNLLLARLTSRRTVRSLIIMGGWPIMIGLLVAAAATVISSHAYLWMTAGLSIYAFGIGLANAGLVRLTLFASDMSKGTVSAAMGMLQMLIFTVGIEISKHAWLNGGNGLFNLFNLVNGILWLSLMVIFLKDKQMGNSHEG

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: SER30 ILE31 TYR32 GLY33 TRP52 GLY53 GLY54 GLY55 ARG56 THR57 ASN73 ASN98 SER99 GLY100 TYR101 GLY102 ASN103

L: ASP28 TYR31 SER32 TYR49 ALA50 SER52 ASN53 ARG66 TYR91 ALA92 SER93 TYR96

A: GLN14 ALA15 ARG82 GLU132 SER133 PHE134 GLU135 GLN189 ARG190 ALA191 MET192 PRO193 GLU194 THR195 ALA196 THR197 ARG198 ILE199 GLY200 GLU201 LYS202 GLU207 ARG210 LEU214 ARG336 PHE340 ASP343

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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