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Entry information

Complex
AACDB_ID: 142
PDBID: 1PKQ
Chains: BA_E
Organism: Mus musculus, Rattus norvegicus
Method: XRD
Resolution (Å): 3.00
Reference: 10.1073/pnas.1133443100
Antibody
Antibody: 8-18C5 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Myelin Oligodendrocyte Glycoprotein
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: B
Mutation: NULL

>1PKQ_B|Chain B, E[auth G]|(8-18C5) chimeric Fab, heavy chain|Mus musculus (10090)
MKKTAIAIAVALAGFATVAQAEVKLHESGAGLVKPGASVEISCKATGYTFSSFWIEWVKQRPGHGLEWIGEILPGRGRTNYNEKFKGKATFTAETSSNTAYMQLSSLTSEDSAVYYCATGNTMVNMPYWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCSAWSHPQFEK

Light Chain: A
Mutation: NULL

>1PKQ_A|Chain A, D[auth F]|(8-18C5) chimeric Fab, light chain|Mus musculus (10090)
MKQSTIALALLPLLFTPVTKADIELTQSPSSLAVSAGEKVTMSCKSSQSLLNSGNQKNYLAWYQQKPGLPPKLLIYGASTRESGVPDRFTGSGSGTDFTLTISSVQAEDLAVYYCQNDHSYPLTFGAGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: E
Mutation: NULL

>1PKQ_E|Chain C[auth E], F[auth J]|Myelin Oligodendrocyte Glycoprotein|Rattus norvegicus (10116)
MRGSGQFRVIGPGHPIRALVGDEAELPCRISPGKNATGMEVGWYRSPFSRVVHLYRNGKDQDAEQAPEYRGRTELLKESIGEGKVALRIQNVRFSDEGGYTCFFRDHSYQEEAAVELKVEDPFYWINPGRSRSHHHHHH

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)

A: TYR32 HIS92 TYR94

B: THR28 SER31 PHE32 TRP33 GLU50 ARG54 ARG56 GLY95 ASN96 THR97 MET98 VAL99

E: GLY1 GLN2 LYS30 ASN31 THR33 GLY34 TYR40 SER45 ARG52 ASN53 GLY54 THR97 ARG101 ASP102 HIS103 SER104 TYR105 GLN106 GLU107 GLU108

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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