Details

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Entry information

Complex
AACDB_ID: 1703
PDBID: 5TUD
Chains: CB_A
Organism: Homo sapiens, Escherichia coli, Mus musculus
Method: XRD
Resolution (Å): 3.00
Reference: 10.1073/pnas.1700891114
Antibody
Antibody: Anti-5-HT2B Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: 5-hydroxytryptamine receptor 2B
Antigen mutation: No
Durg Target: P0ABE7

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>5TUD_C|Chain C, F|Anti-5-HT2B Fab heavy chain|Mus musculus (10090)
EVQLQQSGPELVKPGASVKLSCKASGYTFTSSWMHWVKQRPGQGLEWIGNIYPSNGGTNYNERFKSKATLTVDRSSNTAYMQLSSLTSEDSAVYFCARFGSFITTILTTYYNPVDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCHHHHHH

Light Chain: B
Mutation: NULL

>5TUD_B|Chain B, E|Anti-5-HT2B Fab light chain|Mus musculus (10090)
DIVLIQSPAIMSASPGEKVTITCSASSSVSYMHWFQQKPGTSPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISRMEAEDAATYYCQQRSSYPLTFGAGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSLPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>5TUD_A|Chain A, D|5-hydroxytryptamine receptor 2B,Soluble cytochrome b562 chimera|Homo sapiens (9606)
MKTIIALSYIFCLVFADYKDDDDGAPTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIWHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVGRPLEVLFQGPHHHHHHHHH

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)

B: SER30 TYR31 ARG90 SER91 SER92 TYR93

C: THR30 SER31 TRP33 HIS35 ASN50 TYR52 SER54 ASN55 ASN59 PHE99 GLY100 SER101 PHE102 ILE103 THR104 THR105 ILE106 LEU107 THR108 THR109

A: ALA119 LEU125 VAL126 PRO129 ALA130 PHE133 PRO191 ILE192 GLY194 ILE195 GLU196 THR197 ASP198 VAL199 ASP200 ASN201 ASN204 THR210 LYS211 GLU212 ARG213 GLN355 THR356 GLN359

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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