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Entry information

Complex
AACDB_ID: 4515
PDBID: 7OH0
Chains: CB_A
Organism: Clostridium tetani, Homo sapiens
Method: EM
Resolution (Å): 3.90
Reference: 10.1172/JCI151676
Antibody
Antibody: TT104 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Tetanus neurotoxin
Antigen mutation: No
Durg Target: P04958

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>7OH0_C|Chain B[auth C]|Fab TT104|Homo sapiens (9606)
QLQLQESGPGLVRPSETLSLTCSVSDDSMGSSTYYWAWIRQPPGKGLEWIGNVYYNGVTYYNSSLESRLTLSIDPSKNQFSLILSSVTAADTAVYYCARQADNWFDPWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC

Light Chain: B
Mutation: NULL

>7OH0_B|Chain C[auth B]|Fab TT104|Homo sapiens (9606)
IMMTQSPATLSVSPGERATLSCRASQSVGSDLAWYQQKPGQAPRLLIYGASYRATGIPARFSGGGSGTEFTLTISSMQSEDFAVYYCQQYYNWPPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>7OH0_A|Chain A|Tetanus toxin|Clostridium tetani (1513)
EDIDVILKKSTILNLDINNDIISDISGFNSSVITYPDAQLVPGINGKAIHLVNNESSEVIVHKAMDIEYNDMFNNFTVSFWLRVPKVSASHLEQYGTNEYSIISSMKKHSLSIGSGWSVSLKGNNLIWTLKDSAGEVRQITFRDLPDKFNAYLANKWVFITITNDRLSSANLYINGVLMGSAEITGLGAIREDNNITLKLDRCNNNNQYVSIDKFRIFCKALNPKEIEKLYTSYLSITFLRDFWGNPLRYDTEYYLIPVASSSKDVQLKNITDYMYLTNAPSYTNGKLNIYYRRLYNGLKFIIKRYTPNNEIDSFVKSGDFIKLYVSYNNNEHIVGYPKDGNAFNNLDRILRVGYNAPGIPLYKKMEAVKLRDLKTYSVQLKLYDDKNASLGLVGTHNGQIGNDPNRDILIASNWYFNHLKDKILGCDWYFVPTDEGWTND

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)

Chain residues position delta_SASA : residuesposition

C: MET29 SER31 SER32 THR33 TYR34 TYR35 TYR54 TYR55 ASN56 VAL58 THR59 PRO75 ASP102 ASN103 TRP104 ASP106

B: SER249 VAL250 TYR270 TYR274 ALA276 THR277 TYR312 TYR313 ASN314 TRP315 PRO316

A: SER1137 GLN1141 LEU1142 LYS1143 ASN1144 ILE1145 TYR1150 THR1152 ASN1153 ALA1154 PRO1155 SER1156 TYR1157 THR1158 ARG1168 ASN1171 GLY1172 LEU1173 LYS1174 TYR1202 ASN1203 ASN1272 ASN1277 PRO1279 ASN1280 ARG1281 ASN1314

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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