9V6W
Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor
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 (A, B) | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | polymer | 121 | 13402.9 | 2 | UniProt (Q13526) | Homo sapiens (human) | Peptidyl-prolyl cis-trans isomerase Pin1,PPIase Pin1,Rotamase Pin1 |
| 2 | C, E (A, B) | ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-[(5-phenoxythiophen-2-yl)methyl]ethanamide | non-polymer | 399.9 | 2 | Chemie (A1ERK) | |||
| 3 | D (A) | 3-[bis(oxidanyl)methyl]pentane-1,1,3,5,5-pentol | non-polymer | 198.2 | 1 | Chemie (A1ERA) | |||
| 4 | F, G (A, B) | water | water | 18.0 | 163 | Chemie (HOH) |
Sequence modifications
A, B: 45 - 163 (UniProt: Q13526)
| PDB | External Database | Details |
|---|---|---|
| Gly 43 | - | expression tag |
| Pro 44 | - | expression tag |
| Gln 77 | Lys 77 | conflict |
| Gln 82 | Lys 82 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 26805.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 998.0 | |
| All* | Total formula weight | 27803.8 |
