5NVH
Crystal structure of TNKS2 in complex with 2-[4-(piperidin-1-yl)phenyl]-3,4-dihydroquinazolin-4-one
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (A, B) | Tankyrase-2 | polymer | 191 | 21824.5 | 2 | UniProt (Q9H2K2) Pfam (PF00644) | Homo sapiens (Human) | TANK2,ADP-ribosyltransferase diphtheria toxin-like 6,ARTD6,Poly [ADP-ribose] polymerase 5B,TNKS-2,TRF1-interacting ankyrin-related ADP-ribose polymerase 2,Tankyrase II,Tankyrase-like protein,Tankyrase-related protein |
| 2 | B, D (I, J) | Tankyrase-2 | polymer | 49 | 5493.2 | 2 | UniProt (Q9H2K2) | Homo sapiens (Human) | TANK2,ADP-ribosyltransferase diphtheria toxin-like 6,ARTD6,Poly [ADP-ribose] polymerase 5B,TNKS-2,TRF1-interacting ankyrin-related ADP-ribose polymerase 2,Tankyrase II,Tankyrase-like protein,Tankyrase-related protein |
| 3 | E, F, K, L (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | G, M (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | H, N (A, B) | 2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one | non-polymer | 305.4 | 2 | Chemie (9B2) | |||
| 6 | I, O (I, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 7 | J (I) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 8 | P, Q, R, S (A, I, B, J) | water | water | 18.0 | 328 | Chemie (HOH) |
Sequence modifications
A, B: 946 - 1113 (UniProt: Q9H2K2)
| PDB | External Database | Details |
|---|---|---|
| Met 923 | - | initiating methionine |
| His 924 | - | expression tag |
| His 925 | - | expression tag |
| His 926 | - | expression tag |
| His 927 | - | expression tag |
| His 928 | - | expression tag |
| His 929 | - | expression tag |
| Ser 930 | - | expression tag |
| Ser 931 | - | expression tag |
| Gly 932 | - | expression tag |
| Val 933 | - | expression tag |
| Asp 934 | - | expression tag |
| Leu 935 | - | expression tag |
| Gly 936 | - | expression tag |
| Thr 937 | - | expression tag |
| Glu 938 | - | expression tag |
| Asn 939 | - | expression tag |
| Leu 940 | - | expression tag |
| Tyr 941 | - | expression tag |
| Phe 942 | - | expression tag |
| Gln 943 | - | expression tag |
| Ser 944 | - | expression tag |
| Met 945 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 54635.5 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1416.1 | |
| All* | Total formula weight | 56051.6 |
