6S75

Crystal structure of Nek7 bound to compound 51

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000922	cellular_component	spindle pole
A	0004672	molecular_function	protein kinase activity
A	0004674	molecular_function	protein serine/threonine kinase activity
A	0004676	molecular_function	3-phosphoinositide-dependent protein kinase activity
A	0004677	molecular_function	DNA-dependent protein kinase activity
A	0004679	molecular_function	AMP-activated protein kinase activity
A	0004694	molecular_function	eukaryotic translation initiation factor 2alpha kinase activity
A	0004711	molecular_function	ribosomal protein S6 kinase activity
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005634	cellular_component	nucleus
A	0005654	cellular_component	nucleoplasm
A	0005737	cellular_component	cytoplasm
A	0005813	cellular_component	centrosome
A	0005815	cellular_component	microtubule organizing center
A	0005856	cellular_component	cytoskeleton
A	0005874	cellular_component	microtubule
A	0006338	biological_process	chromatin remodeling
A	0006468	biological_process	protein phosphorylation
A	0007346	biological_process	regulation of mitotic cell cycle
A	0032206	biological_process	positive regulation of telomere maintenance
A	0032212	biological_process	positive regulation of telomere maintenance via telomerase
A	0035175	molecular_function	histone H3S10 kinase activity
A	0035402	molecular_function	histone H3T11 kinase activity
A	0035403	molecular_function	histone H3T6 kinase activity
A	0035865	biological_process	cellular response to potassium ion
A	0035979	molecular_function	histone H2AXS139 kinase activity
A	0044022	molecular_function	histone H3S28 kinase activity
A	0044023	molecular_function	histone H4S1 kinase activity
A	0044024	molecular_function	histone H2AS1 kinase activity
A	0044025	molecular_function	histone H2BS14 kinase activity
A	0046872	molecular_function	metal ion binding
A	0051225	biological_process	spindle assembly
A	0072354	molecular_function	histone H3T3 kinase activity
A	0072371	molecular_function	histone H2AS121 kinase activity
A	0072518	molecular_function	Rho-dependent protein serine/threonine kinase activity
A	0106310	molecular_function	protein serine kinase activity
A	0140677	molecular_function	molecular function activator activity
A	0140823	molecular_function	histone H2BS36 kinase activity
A	0140855	molecular_function	histone H3S57 kinase activity
A	0140857	molecular_function	histone H3T45 kinase activity
A	1900227	biological_process	positive regulation of NLRP3 inflammasome complex assembly
A	1990244	molecular_function	histone H2AT120 kinase activity
B	0000922	cellular_component	spindle pole
B	0004672	molecular_function	protein kinase activity
B	0004674	molecular_function	protein serine/threonine kinase activity
B	0004676	molecular_function	3-phosphoinositide-dependent protein kinase activity
B	0004677	molecular_function	DNA-dependent protein kinase activity
B	0004679	molecular_function	AMP-activated protein kinase activity
B	0004694	molecular_function	eukaryotic translation initiation factor 2alpha kinase activity
B	0004711	molecular_function	ribosomal protein S6 kinase activity
B	0005515	molecular_function	protein binding
B	0005524	molecular_function	ATP binding
B	0005634	cellular_component	nucleus
B	0005654	cellular_component	nucleoplasm
B	0005737	cellular_component	cytoplasm
B	0005813	cellular_component	centrosome
B	0005815	cellular_component	microtubule organizing center
B	0005856	cellular_component	cytoskeleton
B	0005874	cellular_component	microtubule
B	0006338	biological_process	chromatin remodeling
B	0006468	biological_process	protein phosphorylation
B	0007346	biological_process	regulation of mitotic cell cycle
B	0032206	biological_process	positive regulation of telomere maintenance
B	0032212	biological_process	positive regulation of telomere maintenance via telomerase
B	0035175	molecular_function	histone H3S10 kinase activity
B	0035402	molecular_function	histone H3T11 kinase activity
B	0035403	molecular_function	histone H3T6 kinase activity
B	0035865	biological_process	cellular response to potassium ion
B	0035979	molecular_function	histone H2AXS139 kinase activity
B	0044022	molecular_function	histone H3S28 kinase activity
B	0044023	molecular_function	histone H4S1 kinase activity
B	0044024	molecular_function	histone H2AS1 kinase activity
B	0044025	molecular_function	histone H2BS14 kinase activity
B	0046872	molecular_function	metal ion binding
B	0051225	biological_process	spindle assembly
B	0072354	molecular_function	histone H3T3 kinase activity
B	0072371	molecular_function	histone H2AS121 kinase activity
B	0072518	molecular_function	Rho-dependent protein serine/threonine kinase activity
B	0106310	molecular_function	protein serine kinase activity
B	0140677	molecular_function	molecular function activator activity
B	0140823	molecular_function	histone H2BS36 kinase activity
B	0140855	molecular_function	histone H3S57 kinase activity
B	0140857	molecular_function	histone H3T45 kinase activity
B	1900227	biological_process	positive regulation of NLRP3 inflammasome complex assembly
B	1990244	molecular_function	histone H2AT120 kinase activity
C	0000922	cellular_component	spindle pole
C	0004672	molecular_function	protein kinase activity
C	0004674	molecular_function	protein serine/threonine kinase activity
C	0004676	molecular_function	3-phosphoinositide-dependent protein kinase activity
C	0004677	molecular_function	DNA-dependent protein kinase activity
C	0004679	molecular_function	AMP-activated protein kinase activity
C	0004694	molecular_function	eukaryotic translation initiation factor 2alpha kinase activity
C	0004711	molecular_function	ribosomal protein S6 kinase activity
C	0005515	molecular_function	protein binding
C	0005524	molecular_function	ATP binding
C	0005634	cellular_component	nucleus
C	0005654	cellular_component	nucleoplasm
C	0005737	cellular_component	cytoplasm
C	0005813	cellular_component	centrosome
C	0005815	cellular_component	microtubule organizing center
C	0005856	cellular_component	cytoskeleton
C	0005874	cellular_component	microtubule
C	0006338	biological_process	chromatin remodeling
C	0006468	biological_process	protein phosphorylation
C	0007346	biological_process	regulation of mitotic cell cycle
C	0032206	biological_process	positive regulation of telomere maintenance
C	0032212	biological_process	positive regulation of telomere maintenance via telomerase
C	0035175	molecular_function	histone H3S10 kinase activity
C	0035402	molecular_function	histone H3T11 kinase activity
C	0035403	molecular_function	histone H3T6 kinase activity
C	0035865	biological_process	cellular response to potassium ion
C	0035979	molecular_function	histone H2AXS139 kinase activity
C	0044022	molecular_function	histone H3S28 kinase activity
C	0044023	molecular_function	histone H4S1 kinase activity
C	0044024	molecular_function	histone H2AS1 kinase activity
C	0044025	molecular_function	histone H2BS14 kinase activity
C	0046872	molecular_function	metal ion binding
C	0051225	biological_process	spindle assembly
C	0072354	molecular_function	histone H3T3 kinase activity
C	0072371	molecular_function	histone H2AS121 kinase activity
C	0072518	molecular_function	Rho-dependent protein serine/threonine kinase activity
C	0106310	molecular_function	protein serine kinase activity
C	0140677	molecular_function	molecular function activator activity
C	0140823	molecular_function	histone H2BS36 kinase activity
C	0140855	molecular_function	histone H3S57 kinase activity
C	0140857	molecular_function	histone H3T45 kinase activity
C	1900227	biological_process	positive regulation of NLRP3 inflammasome complex assembly
C	1990244	molecular_function	histone H2AT120 kinase activity
D	0000922	cellular_component	spindle pole
D	0004672	molecular_function	protein kinase activity
D	0004674	molecular_function	protein serine/threonine kinase activity
D	0004676	molecular_function	3-phosphoinositide-dependent protein kinase activity
D	0004677	molecular_function	DNA-dependent protein kinase activity
D	0004679	molecular_function	AMP-activated protein kinase activity
D	0004694	molecular_function	eukaryotic translation initiation factor 2alpha kinase activity
D	0004711	molecular_function	ribosomal protein S6 kinase activity
D	0005515	molecular_function	protein binding
D	0005524	molecular_function	ATP binding
D	0005634	cellular_component	nucleus
D	0005654	cellular_component	nucleoplasm
D	0005737	cellular_component	cytoplasm
D	0005813	cellular_component	centrosome
D	0005815	cellular_component	microtubule organizing center
D	0005856	cellular_component	cytoskeleton
D	0005874	cellular_component	microtubule
D	0006338	biological_process	chromatin remodeling
D	0006468	biological_process	protein phosphorylation
D	0007346	biological_process	regulation of mitotic cell cycle
D	0032206	biological_process	positive regulation of telomere maintenance
D	0032212	biological_process	positive regulation of telomere maintenance via telomerase
D	0035175	molecular_function	histone H3S10 kinase activity
D	0035402	molecular_function	histone H3T11 kinase activity
D	0035403	molecular_function	histone H3T6 kinase activity
D	0035865	biological_process	cellular response to potassium ion
D	0035979	molecular_function	histone H2AXS139 kinase activity
D	0044022	molecular_function	histone H3S28 kinase activity
D	0044023	molecular_function	histone H4S1 kinase activity
D	0044024	molecular_function	histone H2AS1 kinase activity
D	0044025	molecular_function	histone H2BS14 kinase activity
D	0046872	molecular_function	metal ion binding
D	0051225	biological_process	spindle assembly
D	0072354	molecular_function	histone H3T3 kinase activity
D	0072371	molecular_function	histone H2AS121 kinase activity
D	0072518	molecular_function	Rho-dependent protein serine/threonine kinase activity
D	0106310	molecular_function	protein serine kinase activity
D	0140677	molecular_function	molecular function activator activity
D	0140823	molecular_function	histone H2BS36 kinase activity
D	0140855	molecular_function	histone H3S57 kinase activity
D	0140857	molecular_function	histone H3T45 kinase activity
D	1900227	biological_process	positive regulation of NLRP3 inflammasome complex assembly
D	1990244	molecular_function	histone H2AT120 kinase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue F9N A 401

Chain	Residue
A	ARG42
A	VAL48
A	GLU112
A	ALA114
A	PHE168

---

site_id	AC2
Number of Residues	10
Details	binding site for residue F9N B 401

Chain	Residue
B	GLU112
B	ALA114
B	ALA116
B	ASP118
B	ASN166
B	PHE168
B	LYS38
B	ILE40
B	VAL48
B	LEU111

---

site_id	AC3
Number of Residues	11
Details	binding site for residue F9N C 401

Chain	Residue
C	ILE40
C	VAL48
C	ARG50
C	ALA61
C	GLU112
C	LEU113
C	ALA114
C	ASP115
C	ALA116
C	ALA165
C	PHE168

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	24
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGRGQFSEVYrAaclldgvp..........VALK

Chain	Residue	Details
A	ILE40-LYS63

---

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

Chain	Residue	Details
A	VAL157-ILE169

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027

Chain	Residue	Details
A	ASP161
B	ASP161
C	ASP161
D	ASP161

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0000305|PubMed:19941817, ECO:0007744|PDB:2WQN

Chain	Residue	Details
A	ILE40
A	LYS63
B	ILE40
B	LYS63
C	ILE40
C	LYS63
D	ILE40
D	LYS63

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	SITE: Autoinhibitory => ECO:0000269|PubMed:19941817

Chain	Residue	Details
A	TYR97
B	TYR97
C	TYR97
D	TYR97

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: N-acetylmethionine => ECO:0007744|PubMed:19413330

Chain	Residue	Details
A	MET1
B	MET1
C	MET1
D	MET1

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	SER5
B	SER5
C	SER5
D	SER5

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	MOD_RES: Phosphoserine; by NEK9 => ECO:0000269|PubMed:12840024, ECO:0000269|PubMed:26522158

Chain	Residue	Details
A	SER195
B	SER195
C	SER195
D	SER195

---