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6S75

Crystal structure of Nek7 bound to compound 51

Functional Information from GO Data
ChainGOidnamespacecontents
A0000922cellular_componentspindle pole
A0004672molecular_functionprotein kinase activity
A0004674molecular_functionprotein serine/threonine kinase activity
A0005515molecular_functionprotein binding
A0005524molecular_functionATP binding
A0005634cellular_componentnucleus
A0005654cellular_componentnucleoplasm
A0005737cellular_componentcytoplasm
A0005813cellular_componentcentrosome
A0005815cellular_componentmicrotubule organizing center
A0005856cellular_componentcytoskeleton
A0005874cellular_componentmicrotubule
A0006338biological_processchromatin remodeling
A0006468biological_processprotein phosphorylation
A0007346biological_processregulation of mitotic cell cycle
A0016310biological_processphosphorylation
A0032206biological_processpositive regulation of telomere maintenance
A0035865biological_processcellular response to potassium ion
A0044024molecular_functionhistone H2AS1 kinase activity
A0046872molecular_functionmetal ion binding
A0051225biological_processspindle assembly
A0106310molecular_functionprotein serine kinase activity
A0140677molecular_functionmolecular function activator activity
A1900227biological_processpositive regulation of NLRP3 inflammasome complex assembly
B0000922cellular_componentspindle pole
B0004672molecular_functionprotein kinase activity
B0004674molecular_functionprotein serine/threonine kinase activity
B0005515molecular_functionprotein binding
B0005524molecular_functionATP binding
B0005634cellular_componentnucleus
B0005654cellular_componentnucleoplasm
B0005737cellular_componentcytoplasm
B0005813cellular_componentcentrosome
B0005815cellular_componentmicrotubule organizing center
B0005856cellular_componentcytoskeleton
B0005874cellular_componentmicrotubule
B0006338biological_processchromatin remodeling
B0006468biological_processprotein phosphorylation
B0007346biological_processregulation of mitotic cell cycle
B0016310biological_processphosphorylation
B0032206biological_processpositive regulation of telomere maintenance
B0035865biological_processcellular response to potassium ion
B0044024molecular_functionhistone H2AS1 kinase activity
B0046872molecular_functionmetal ion binding
B0051225biological_processspindle assembly
B0106310molecular_functionprotein serine kinase activity
B0140677molecular_functionmolecular function activator activity
B1900227biological_processpositive regulation of NLRP3 inflammasome complex assembly
C0000922cellular_componentspindle pole
C0004672molecular_functionprotein kinase activity
C0004674molecular_functionprotein serine/threonine kinase activity
C0005515molecular_functionprotein binding
C0005524molecular_functionATP binding
C0005634cellular_componentnucleus
C0005654cellular_componentnucleoplasm
C0005737cellular_componentcytoplasm
C0005813cellular_componentcentrosome
C0005815cellular_componentmicrotubule organizing center
C0005856cellular_componentcytoskeleton
C0005874cellular_componentmicrotubule
C0006338biological_processchromatin remodeling
C0006468biological_processprotein phosphorylation
C0007346biological_processregulation of mitotic cell cycle
C0016310biological_processphosphorylation
C0032206biological_processpositive regulation of telomere maintenance
C0035865biological_processcellular response to potassium ion
C0044024molecular_functionhistone H2AS1 kinase activity
C0046872molecular_functionmetal ion binding
C0051225biological_processspindle assembly
C0106310molecular_functionprotein serine kinase activity
C0140677molecular_functionmolecular function activator activity
C1900227biological_processpositive regulation of NLRP3 inflammasome complex assembly
D0000922cellular_componentspindle pole
D0004672molecular_functionprotein kinase activity
D0004674molecular_functionprotein serine/threonine kinase activity
D0005515molecular_functionprotein binding
D0005524molecular_functionATP binding
D0005634cellular_componentnucleus
D0005654cellular_componentnucleoplasm
D0005737cellular_componentcytoplasm
D0005813cellular_componentcentrosome
D0005815cellular_componentmicrotubule organizing center
D0005856cellular_componentcytoskeleton
D0005874cellular_componentmicrotubule
D0006338biological_processchromatin remodeling
D0006468biological_processprotein phosphorylation
D0007346biological_processregulation of mitotic cell cycle
D0016310biological_processphosphorylation
D0032206biological_processpositive regulation of telomere maintenance
D0035865biological_processcellular response to potassium ion
D0044024molecular_functionhistone H2AS1 kinase activity
D0046872molecular_functionmetal ion binding
D0051225biological_processspindle assembly
D0106310molecular_functionprotein serine kinase activity
D0140677molecular_functionmolecular function activator activity
D1900227biological_processpositive regulation of NLRP3 inflammasome complex assembly
Functional Information from PDB Data
site_idAC1
Number of Residues5
Detailsbinding site for residue F9N A 401
ChainResidue
AARG42
AVAL48
AGLU112
AALA114
APHE168

site_idAC2
Number of Residues10
Detailsbinding site for residue F9N B 401
ChainResidue
BGLU112
BALA114
BALA116
BASP118
BASN166
BPHE168
BLYS38
BILE40
BVAL48
BLEU111

site_idAC3
Number of Residues11
Detailsbinding site for residue F9N C 401
ChainResidue
CILE40
CVAL48
CARG50
CALA61
CGLU112
CLEU113
CALA114
CASP115
CALA116
CALA165
CPHE168

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGRGQFSEVYrAaclldgvp..........VALK
ChainResidueDetails
AILE40-LYS63

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. VmHrDIKpaNVFI
ChainResidueDetails
AVAL157-ILE169

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
AASP161
BASP161
CASP161
DASP161

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000305|PubMed:19941817, ECO:0007744|PDB:2WQN
ChainResidueDetails
AILE40
ALYS63
BILE40
BLYS63
CILE40
CLYS63
DILE40
DLYS63

site_idSWS_FT_FI3
Number of Residues4
DetailsSITE: Autoinhibitory => ECO:0000269|PubMed:19941817
ChainResidueDetails
ATYR97
BTYR97
CTYR97
DTYR97

site_idSWS_FT_FI4
Number of Residues4
DetailsMOD_RES: N-acetylmethionine => ECO:0007744|PubMed:19413330
ChainResidueDetails
AMET1
BMET1
CMET1
DMET1

site_idSWS_FT_FI5
Number of Residues4
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER5
BSER5
CSER5
DSER5

site_idSWS_FT_FI6
Number of Residues4
DetailsMOD_RES: Phosphoserine; by NEK9 => ECO:0000269|PubMed:12840024, ECO:0000269|PubMed:26522158
ChainResidueDetails
ASER195
BSER195
CSER195
DSER195

224572

PDB entries from 2024-09-04

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