7SKK
pertussis toxin in complex with ADPR and Nicotinamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Pertussis toxin subunit 1 | polymer | 184 | 20725.4 | 4 | UniProt (P04977) Pfam (PF02917) | Bordetella pertussis | PTX S1,Islet-activating protein S1,IAP S1,NAD-dependent ADP-ribosyltransferase |
| 2 | E, H, K, P (A, B, C, D) | NICOTINAMIDE | non-polymer | 122.1 | 4 | Chemie (NCA) | |||
| 3 | F, I, L, Q (A, B, C, D) | [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | non-polymer | 559.3 | 4 | Chemie (AR6) | |||
| 4 | G, J, M, N, O (B, C, D) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 5 | R, S, T, U (A, B, C, D) | water | water | 18.0 | 737 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 2 - 182 (UniProt: P04977)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Pro 0 | - | expression tag |
| Gly 1 | - | expression tag |
| Glu 34 | Asp 68 | variant |
| Ser 41 | Cys 75 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 82901.4 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 3206.1 | |
| All* | Total formula weight | 86107.5 |
