4B9D
Crystal Structure of Human NIMA-related Kinase 1 (NEK1) with 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 | SERINE/THREONINE-PROTEIN KINASE NEK1 | polymer | 350 | 39912.1 | 2 | UniProt (Q96PY6) Pfam (PF00069) In PDB | HOMO SAPIENS (HUMAN) | NIMA-RELATED KINASE 1, NEVER IN MITOSIS A-RELATED KINASE 1, NIMA-RELATED PROTEIN KINASE 1, RENAL CARCINOMA ANTIGEN NY-REN-55 |
2 | A, B | [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE | non-polymer | 328.3 | 2 | Chemie (CK7) | |||
3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
4 | B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
5 | water | water | 18.0 | 234 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 328 (UniProt: Q96PY6)
PDB | External Database | Details |
---|---|---|
Met -21 | - | expression tag |
His -20 | - | expression tag |
His -19 | - | expression tag |
His -18 | - | expression tag |
His -17 | - | expression tag |
His -16 | - | expression tag |
His -15 | - | expression tag |
Ser -14 | - | expression tag |
Ser -13 | - | expression tag |
Gly -12 | - | expression tag |
Val -11 | - | expression tag |
Asp -10 | - | expression tag |
Leu -9 | - | expression tag |
Gly -8 | - | expression tag |
Thr -7 | - | expression tag |
Glu -6 | - | expression tag |
Asn -5 | - | expression tag |
Leu -4 | - | expression tag |
Tyr -3 | - | expression tag |
Phe -2 | - | expression tag |
Gln -1 | - | expression tag |
Ser 0 | - | expression tag |
Ala 162 | Thr 162 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 79824.1 | |
Non-Polymers* | Number of molecules | 6 |
Total formula weight | 825.1 | |
All* | Total formula weight | 80649.3 |