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Entry information

Complex
AACDB_ID: 1400
PDBID: 5HDQ
Chains: HL_A
Organism: Staphylococcus aureus, Mus musculus
Method: XRD
Resolution (Å): 1.83
Reference: 10.1371/journal.ppat.1005908
Antibody
Antibody: 305-78-7 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: ABC transporter substrate-binding protein
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>5HDQ_H|Chain B[auth H]|Fab Heavy Chain|Mus musculus (10090)
QVQLQQSGAELARPGASVKMSCKASGYTFTRYTMHWVQQRPGQGLEWIGYINPSSDYTKYNQKFKDKATMTADKSSSTAYMQLSSLTSEDSAVYYCARKEDVGYWYFDFWGTGTTVTVSSAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPS

Light Chain: L
Mutation: NULL

>5HDQ_L|Chain C[auth L]|Fab Light Chain|Mus musculus (10090)
DIVMSQSPSSLAVSVGEKVTMSCKSSQSLLYSSNEKNYLAWYQQKPGQSPKLLIYWASTRESGVPDRFTGSGSGTDFTLTISSVKAEDLAVYYCQQYYSYPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: A
Mutation: NULL

>5HDQ_A|Chain A|ABC transporter substrate-binding protein|Staphylococcus aureus (1280)
MGTGGKQSSDKSNGKLKVVTTNSILYDMAKNVGGDNVDIHSIVPVGQDPHEYEVKPKDIKKLTDADVILYNGLNLETGNGWFEKALEQAGKSLKDKKVIAVSKDVKPIYLNGEEGNKDKQDPHAWLSLDNGIKYVKTIQQTFIDNDKKHKADYEKQGNKYIAQLEKLNNDSKDKFNDIPKEQRAMITSEGAFKYFSKQYGITPGYIWEINTEKQGTPEQMRQAIEFVKKHKLKHLLVETSVDKKAMESLSEETKKDIFGEVYTDSIGKEGTKGDSYYKMMKSNIETVHGSMK

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: THR33 TYR50 SER53 SER54 ASP55 TYR56 THR57 LYS58 LYS95 ASP97 VAL98 GLY99

L: TYR32 TYR92 SER93 TYR94

A: LYS233 HIS234 LYS243 GLU247 SER250 GLU251 GLU252 THR253 LYS254 LYS255 ASP256 ILE257 PHE258 GLY259 GLU260 LYS272 THR286

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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