7F0M
Crystal Structure of human Pin1 complexed with a potent covalent inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | polymer | 183 | 20356.6 | 4 | UniProt (Q13526) Pfam (PF00397) Pfam (PF00639) In PDB | Homo sapiens (Human) | Peptidyl-prolyl cis-trans isomerase Pin1,PPIase Pin1,Rotamase Pin1 |
2 | A, B, C, D | 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one | non-polymer | 455.0 | 4 | Chemie (0BF) | |||
3 | A, B, C, D | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL | non-polymer | 326.4 | 4 | Chemie (P33) | |||
4 | water | water | 18.0 | 478 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 163 (UniProt: Q13526)
PDB | External Database | Details |
---|---|---|
Met -19 | - | expression tag |
Gly -18 | - | expression tag |
Ser -17 | - | expression tag |
Ser -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
Ser -9 | - | expression tag |
Ser -8 | - | expression tag |
Gly -7 | - | expression tag |
Leu -6 | - | expression tag |
Val -5 | - | expression tag |
Pro -4 | - | expression tag |
Arg -3 | - | expression tag |
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 | 4 |
Total formula weight | 81426.3 | |
Non-Polymers* | Number of molecules | 8 |
Total formula weight | 3125.4 | |
All* | Total formula weight | 84551.7 |