5MOE
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Casein kinase II subunit alpha | polymer | 352 | 41467.8 | 2 | UniProt (P68400) Pfam (PF00069) In PDB | Homo sapiens (Human) | CK II alpha |
2 | A, B | ADENOSINE-5'-DIPHOSPHATE | non-polymer | 427.2 | 2 | Chemie (ADP) | |||
3 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
4 | A, B | INOSITOL HEXAKISPHOSPHATE | non-polymer | 660.0 | 2 | Chemie (IHP) | |||
5 | A, B | ACETATE ION | non-polymer | 59.0 | 7 | Chemie (ACT) | |||
6 | A, B | [3-chloranyl-4-(furan-3-yl)phenyl]methanamine | non-polymer | 207.7 | 5 | Chemie (OQC) | |||
7 | A | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
8 | water | water | 18.0 | 216 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 329 (UniProt: P68400)
PDB | External Database | Details |
---|---|---|
Gly -22 | - | expression tag |
Ser -21 | - | expression tag |
Met -20 | - | expression tag |
Asp -19 | - | expression tag |
Ile -18 | - | expression tag |
Glu -17 | - | expression tag |
Phe -16 | - | expression tag |
Asp -15 | - | expression tag |
Asp -14 | - | expression tag |
Asp -13 | - | expression tag |
Ala -12 | - | expression tag |
Asp -11 | - | expression tag |
Asp -10 | - | expression tag |
Asp -9 | - | expression tag |
Gly -8 | - | expression tag |
Ser -7 | - | expression tag |
Gly -6 | - | expression tag |
Ser -5 | - | expression tag |
Gly -4 | - | expression tag |
Ser -3 | - | expression tag |
Gly -2 | - | expression tag |
Ser -1 | - | expression tag |
Gly 0 | - | expression tag |
Ser 1 | - | expression tag |
Ser 21 | Arg 21 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 82935.6 | |
Non-Polymers* | Number of molecules | 21 |
Total formula weight | 3818.3 | |
All* | Total formula weight | 86753.8 |