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Entry information

Complex
AACDB_ID: 2932
PDBID: 6UL4
Chains: B_A
Organism: Clostridium botulinum, Vicugna pacos
Method: XRD
Resolution (Å): 3.18
Reference: 10.1016/j.celrep.2020.01.107
Antibody
Antibody: JLO-G11 VHH
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Botulinum neurotoxin type B receptor-binding domain
Antigen mutation: No
Durg Target: P10844

Sequence information

Antibody

Chain: B
Mutation: NULL

>6UL4_B|Chain B|VHH JLO-G11|Vicugna pacos (30538)
MHHHHHHMASMTGGQQMGRGSQVQLAESGGGLVQPGGSLRLSCEASGFHLEHFAVGWFRQAPGKEREGVSCISASGDSTTYADSVKGRSTISKDNAKNAVYLQMDSLRPEDTGDYYCAASHFSVCGKNIRKIEYRYWGQGTPVTVSSEPKTPKPQ

Antigen

Chain: A
Mutation: NULL

>6UL4_A|Chain A|Botulinum neurotoxin type B|Clostridium botulinum (1491)
GPLGSEILNNIILNLRYKDNNLIDLSGYGAKVEVYDGVELNDKNQFKLTSSANSKIRVTQNQNIIFNSVFLDFSVSFWIRIPKYKNDGIQNYIHNEYTIINCMKNNSGWKISIRGNRIIWTLIDINGKTKSVFFEYNIREDISEYINRWFFVTITNNLNNAKIYINGKLESNTDIKDIREVIANGEIIFKLDGDIDRTQFIWMKYFSIFNTELSQSNIEERYKIQSYSEYLKDFWGNPLMYNKEYYMFNAGNKNSYIKLKKDSPVGEILTRSKYNQNSKYINYRDLYIGEKFIIRRKSNSQSINDDIVRKEDYIYLDFFNLNQEWRVYTYKYFKKEEEKLFLAPISDSDEFYNTIQIKEYDEQPTYSCQLLFKKDEESTDEIGLIGIHRFYESGIVFEEYKDYFCISKWYLKEVKRKPYNLKLGCNWQFIPKDEGWTE

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: VAL2 GLY26 PHE27 HIS28 HIS31 PHE32 SER54 ASP56 ASN77 HIS100 PHE101 SER102 VAL103 GLY105 LYS106 ASN107 ARG109 ILE111 GLU112 ARG114 TYR115

A: LYS1113 ASP1115 SER1116 PRO1117 VAL1118 TYR1183 TYR1185 PHE1186 LYS1187 LYS1188 GLU1191 LYS1192 PHE1194 ASP1202 GLU1203 PHE1204 TYR1244 GLU1245 SER1246 GLY1247 ILE1248 GLU1251 TYR1256

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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