3TC5
Selective targeting of disease-relevant protein binding domains by O-phosphorylated natural product derivatives
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | polymer | 166 | 18467.5 | 1 | UniProt (Q13526) Pfam (PF00397) Pfam (PF00639) | Homo sapiens (human) | Peptidyl-prolyl cis-trans isomerase Pin1, PPIase Pin1, Rotamase Pin1 |
| 2 | B (A) | (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate | non-polymer | 472.4 | 1 | Chemie (3T5) | |||
| 3 | C (A) | HEXAETHYLENE GLYCOL | non-polymer | 282.3 | 1 | Chemie (P6G) | |||
| 4 | D (A) | water | water | 18.0 | 266 | Chemie (HOH) |
Sequence modifications
A: 1 - 163 (UniProt: Q13526)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
| Ala 14 | Arg 14 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18467.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 754.8 | |
| All* | Total formula weight | 19222.2 |
