9INR
Crystal structure of PIN1 in complex with inhibitor C3
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | polymer | 163 | 18185.2 | 2 | UniProt (Q13526) Pfam (PF00397) Pfam (PF00639) In PDB | Homo sapiens (human) | Peptidyl-prolyl cis-trans isomerase Pin1,PPIase Pin1,Rotamase Pin1 |
| 2 | A, B | ~{N}-[(2~{S})-3-[1-[4-(4-cyanophenyl)phenyl]-1,2,3-triazol-4-yl]-1-[(3-oxidanylcyclobutyl)amino]-1-oxidanylidene-propan-2-yl]-1-phenyl-cyclopropane-1-carboxamide | non-polymer | 546.6 | 2 | Chemie (A1D9K) | |||
| 3 | A, B | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 4 | B | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL | non-polymer | 634.8 | 1 | Chemie (PE3) | |||
| 5 | water | water | 18.0 | 145 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 163 (UniProt: Q13526)
| PDB | External Database | Details |
|---|---|---|
| Ala 14 | Arg 14 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 36370.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2016.2 | |
| All* | Total formula weight | 38386.6 |
