2XNO

Structure of Nek2 bound to CCT243779

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE ED8 A 1280

Chain	Residue
A	ILE14
A	ALA145
A	PHE148
A	GLY158
A	ASP159
A	EDO1294
A	HOH2034
A	HOH2194
A	GLY15
A	CYS22
A	LYS37
A	GLU87
A	TYR88
A	CYS89
A	ASP93
A	SER96

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 1282

Chain	Residue
A	GLU110
A	ARG239
A	HOH2064

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1283

Chain	Residue
A	LEU11
A	LYS152
A	GLN153
A	HOH2190
A	HOH2195
A	HOH2196

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1284

Chain	Residue
A	TYR181
A	GLU208
A	PRO214
A	HOH2197

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1285

Chain	Residue
A	GLU195
A	LYS196
A	SER261
A	VAL262
A	HOH2198

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 1286

Chain	Residue
A	ARG234
A	ARG235
A	TYR238
A	LEU266
A	EDO1289
A	EDO1290
A	HOH2199

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1287

Chain	Residue
A	TYR238
A	ASP242
A	HOH2104
A	HOH2202
A	HOH2203

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 1288

Chain	Residue
A	ILE247
A	GLU264
A	ASN268

---

site_id	AC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO A 1289

Chain	Residue
A	ARG234
A	ARG235
A	TYR238
A	LEU266
A	ILE271
A	LEU272
A	GLU273
A	HIS276
A	EDO1286

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1290

Chain	Residue
A	TYR207
A	ALA211
A	ARG235
A	ILE236
A	EDO1286
A	HOH2129

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1291

Chain	Residue
A	ASP242
A	GLU246
A	HIS277
A	HIS279
A	HOH2154
A	HOH2205

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 1292

Chain	Residue
A	ARG140
A	ASP159
A	PHE160
A	HOH2114
A	HOH2206
A	HOH2207

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS A 1293

Chain	Residue
A	PRO65
A	ASN154
A	LYS156
A	HIS277
A	HIS279

---

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A 1294

Chain	Residue
A	ASP159
A	ED81280

---

site_id	BC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE EDO A 1295

Chain	Residue
A	PHE160

---

Functional Information from PROSITE/UniProt

site_id	PS00108
Number of Residues	13
Details	PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. VlHrDLKpaNVFL

Chain	Residue	Details
A	VAL137-LEU149

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Modified residue: {"description":"Phosphothreonine; by autocatalysis","evidences":[{"source":"PubMed","id":"17197699","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine; by autocatalysis","evidences":[{"source":"PubMed","id":"17197699","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---