4AFE

Nek2 bound to hybrid compound 21

Summary for 4AFE

Entry DOI	10.2210/pdb4afe/pdb
Related	2JAV 2W5A 2W5B 2W5H 2WQO 2XK3 2XK4 2XK6 2XK7 2XK8 2XKC 2XKD 2XKE 2XKF 2XNM 2XNN 2XNO 2XNP 4A4X
Descriptor	SERINE/THREONINE-PROTEIN KINASE NEK2, 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywords	transferase, mitosis
Biological source	HOMO SAPIENS (HUMAN)
Cellular location	Isoform 1: Nucleus. Isoform 2: Cytoplasm. Isoform 4: Nucleus: P51955
Total number of polymer chains	1
Total formula weight	33215.09
Authors	Yeoh, S.,Innocenti, P.,Hoelder, S.,Bayliss, R. (deposition date: 2012-01-19, release date: 2012-04-25, Last modification date: 2023-12-20)
Primary citation	Innocenti, P.,Cheung, K.M.,Solanki, S.,Mas-Droux, C.,Rowan, F.,Yeoh, S.,Boxall, K.,Westlake, M.,Pickard, L.,Hardy, T.,Baxter, J.E.,Aherne, G.W.,Bayliss, R.,Fry, A.M.,Hoelder, S. Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity. J.Med.Chem., 55:3228-, 2012 Cited by PubMed: 22404346 DOI: 10.1021/JM201683B PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.597 Å)

Structure validation