5TA6
Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor.
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Serine/threonine-protein kinase PLK1 | polymer | 358 | 40582.9 | 1 | UniProt (P53350) Pfam (PF00069) In PDB | Homo sapiens (Human) | Polo-like kinase 1,PLK-1,Serine/threonine-protein kinase 13,STPK13 |
2 | A | 4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide | non-polymer | 555.7 | 1 | Chemie (79D) | |||
3 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
4 | water | water | 18.0 | 108 | Chemie (HOH) |
Sequence modifications
A: 13 - 345 (UniProt: P53350)
PDB | External Database | Details |
---|---|---|
Met -12 | - | initiating methionine |
Ser -11 | - | expression tag |
Tyr -10 | - | expression tag |
Tyr -9 | - | expression tag |
His -8 | - | expression tag |
His -7 | - | expression tag |
His -6 | - | expression tag |
His -5 | - | expression tag |
His -4 | - | expression tag |
His -3 | - | expression tag |
Asp -2 | - | expression tag |
Tyr -1 | - | expression tag |
Asp 0 | - | expression tag |
Ile 1 | - | expression tag |
Pro 2 | - | expression tag |
Thr 3 | - | expression tag |
Thr 4 | - | expression tag |
Glu 5 | - | expression tag |
Asn 6 | - | expression tag |
Leu 7 | - | expression tag |
Tyr 8 | - | expression tag |
Phe 9 | - | expression tag |
Gln 10 | - | expression tag |
Gly 11 | - | expression tag |
Ala 12 | - | expression tag |
Val 210 | Thr 210 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 40582.9 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 621.1 | |
All* | Total formula weight | 41204.0 |