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) PubChem (936) | |||
| 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) PubChem (192) PubChem (445794) PubChem (447048) PubChem (10437766) PubChem (25113622) PubChem (25113623) PubChem (44415180) PubChem (44144391) PubChem (51051599) PubChem (33576) PubChem (447165) PubChem (448826) PubChem (9548001) PubChem (9547960) PubChem (174159053) PubChem (89379870) PubChem (91746164) PubChem (122606931) PubChem (122609061) PubChem (140853820) PubChem (146879505) PubChem (162774256) PubChem (162782217) PubChem (163972867) PubChem (173750345) PubChem (173750346) PubChem (175675949) | |||
| 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 |
