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3I7B

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NM-PP1

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004674molecular_functionprotein serine/threonine kinase activity
A0004683molecular_functioncalmodulin-dependent protein kinase activity
A0005509molecular_functioncalcium ion binding
A0005516molecular_functioncalmodulin binding
A0005524molecular_functionATP binding
A0005634cellular_componentnucleus
A0005737cellular_componentcytoplasm
A0006468biological_processprotein phosphorylation
A0009931molecular_functioncalcium-dependent protein serine/threonine kinase activity
A0016020cellular_componentmembrane
A0016310biological_processphosphorylation
A0018105biological_processpeptidyl-serine phosphorylation
A0035556biological_processintracellular signal transduction
A0046777biological_processprotein autophosphorylation
A0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE BK1 A 701
ChainResidue
AVAL65
AASP195
AEDO702
AHOH811
AALA78
ALYS80
AMET112
ALEU126
AGLU129
AVAL130
ATYR131
ALEU181

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 702
ChainResidue
AMET112
AASP195
APHE196
ABK1701
AHOH809

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 703
ChainResidue
ALYS211
AGLY213
ATHR214
AALA215
AVAL469

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 704
ChainResidue
AGLY225
ATHR226
ATYR227
AGLU444
AARG448
AHOH864

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS A 705
ChainResidue
ATYR267
APHE269
AARG286
ATYR421

Functional Information from PROSITE/UniProt
site_idPS00018
Number of Residues13
DetailsEF_HAND_1 EF-hand calcium-binding domain. DKNGDGQLDraEL
ChainResidueDetails
AASP368-LEU380
AASP415-PHE427
AASP451-LEU463
AASP485-PHE497

site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGKGSFGEVIlCkdkitgqe..........CAVK
ChainResidueDetails
ALEU57-LYS80

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IvHrDLKpeNLLL
ChainResidueDetails
AILE170-LEU182

224572

PDB entries from 2024-09-04

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