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Entry information

Complex
AACDB_ID: 3825
PDBID: 7JWG
Chains: HL_C
Organism: Homo sapiens, Borreliella burgdorferi B31
Method: XRD
Resolution (Å): 3.05
Reference: 10.1172/JCI144843
Antibody
Antibody: 221-7 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Outer surface protein A
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7JWG_H|Chain A, D[auth H]|Antibody 221-7 Fab heavy chain|Homo sapiens (9606)
EVQLVQSGSEVKKPGESLKISCQVSGYSFTSYWIGWVRQMPGKGLERVGFIYPGDSDTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARGILRYFDWFLDYWGQGTLVTVSSASTKSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK

Light Chain: L
Mutation: NULL

>7JWG_L|Chain B, E[auth L]|Antibody 221-7 Fab light chain|Homo sapiens (9606)
PSSLSASVGDRVTITCRASQGISSGSAWYQQKPGKAPKLLIYDVSSLESGVPSRFSGSGSGTEFTLTISSLQPEDFATYYCQQFNSYLLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: C
Mutation: NULL

>7JWG_C|Chain C, F[auth E]|Outer surface protein A|Borrelia burgdorferi (strain ATCC 35210 / B31 / CIP 102532 / DSM 4680) (224326)
SLDEKNSVSVDLPGEMKVLVSKEKNKDGKYDLIATVDKLELKGTSDKNNGSGVLEGVKADKSKVKLTISDDLGQTTLEVFKEDGKTLVSKKVTSKDKSSTEEKFNEKGEVSEKIITRADGTRLEYTGIKSDGSGKAKEVLKGYVLEGTLTAEKTTLVVKEGTVTLSKNISKSGEVSVELNDTDSSAATKKTAAWNSGTSTLTITVNSKKTKDLVFTKENTITVQQYDSNGTKLEGSAVEITKLDEIKNALK

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: SER31 TYR32 TRP33 TYR52 ASP55 ASP57 ARG59 ARG98 ILE100 LEU101 ARG102 TYR103 PHE104 PHE107 ASP109 TYR110

L: ARG18 ILE29 SER31 TYR49 ASP50 SER52 SER53 GLU55 SER93

C: ASP68 VAL75 GLU77 LYS87 GLU100 PHE102 ASP105 GLY106 LYS107 THR108 LEU109 LYS112 GLU124 PHE126 GLU128 LYS129 GLY130 GLU131 VAL132 SER152 LYS193

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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