9EA9
Crystal structure of BoNT/A-NTNH-HA70 -VHH_F12-VHH_H7-Fab_NTNH complex
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Botulinum neurotoxin type A | polymer | 1296 | 149479.9 | 1 | UniProt (P0DPI0) Pfam (PF01742) Pfam (PF07952) Pfam (PF07953) Pfam (PF07951) | Clostridium botulinum | BoNT/A,Bontoxilysin-A,BOTOX,Botulinum neurotoxin type A1 |
| 2 | B (B) | Non-toxic nonhemagglutinin type A | polymer | 1194 | 138292.1 | 1 | UniProt (Q45914) Pfam (PF01742) Pfam (PF22133) Pfam (PF07953) Pfam (PF08470) | Clostridium botulinum | NTNHA,Botulinum neurotoxin type A non-toxic component |
| 3 | C (C) | Nanobody ciA-F12 | polymer | 128 | 13698.0 | 1 | Vicugna pacos | ||
| 4 | D (F) | Nanobody ciA-H7 | polymer | 121 | 12989.4 | 1 | Vicugna pacos | ||
| 5 | E, F, G, I, J (I, J, D, G, H) | HA-70 | polymer | 626 | 71450.5 | 5 | UniProt (Q8KHU9) Pfam (PF03505) Pfam (PF17993) | Clostridium botulinum | HA70 |
| 6 | H (E) | HA70/A1 | polymer | 626 | 71408.4 | 1 | UniProt (Q8KHU9) Pfam (PF03505) Pfam (PF17993) | Clostridium botulinum | HA70 |
| 7 | K (K) | anti-NTNH Fab | polymer | 105 | 11629.9 | 1 | Mus sp. | ||
| 8 | L (M) | anti-NTNH Fab | polymer | 117 | 12743.2 | 1 | Mus sp. | ||
| 9 | M (N) | anti-NTNH Fab | polymer | 94 | 9845.1 | 1 | Mus sp. | ||
| 10 | N (L) | anti-NTNH Fab | polymer | 103 | 11500.5 | 1 | Mus sp. | ||
| 11 | AA, BA, O, P, Q... (D, E, A, B) | SULFATE ION | non-polymer | 96.1 | 10 | Chemie (SO4) | |||
| 12 | S (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 13 | CA, DA, EA, FA, GA... (E, H, A, B, J) | MAGNESIUM ION | non-polymer | 24.3 | 10 | Chemie (MG) | |||
| 14 | JA, KA, LA, MA, NA... (A, B, F, I, J...) | water | water | 18.0 | 65 | Chemie (HOH) |
Sequence modifications
A: 1 - 1296 (UniProt: P0DPI0)
B: 1 - 1193 (UniProt: Q45914)
E: 1 - 626 (UniProt: Q8KHU9)
| PDB | External Database | Details |
|---|---|---|
| Ala 27 | Val 27 | variant |
| Gln 224 | Glu 224 | conflict |
| Ala 363 | Arg 363 | conflict |
| Phe 366 | Tyr 366 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Ser 426 | Thr 426 | conflict |
| Pro 1194 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Asp 575 | Ile 575 | conflict |
| Ala 576 | Asp 576 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 14 |
| Total formula weight | 788838.8 | |
| Non-Polymers* | Number of molecules | 21 |
| Total formula weight | 1269.1 | |
| All* | Total formula weight | 790107.9 |
