1LR4

Room Temperature Crystal Structure of the Apo-form of the catalytic subunit of protein kinase CK2 from Zea mays

Replaces:  1A6O
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Functional Information from GO Data

ChainGOidnamespacecontents
A0005524molecular_functionATP binding
A0004674molecular_functionprotein serine/threonine kinase activity
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC18BINDING SITE FOR RESIDUE BEN A 1001
ChainResidue
AILE66
ALYS68
APHE113
AMET163
AILE174
AASP175
AHOH1016
AHOH1065

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
BEN_1lr4_A_100110BENZAMIDINE binding site
ChainResidueligand
AVAL53BEN: BENZAMIDINE
AILE66BEN: BENZAMIDINE
ALYS68BEN: BENZAMIDINE
AGLU81BEN: BENZAMIDINE
AVAL95BEN: BENZAMIDINE
APHE113BEN: BENZAMIDINE
AMET163BEN: BENZAMIDINE
AILE174-TRP176BEN: BENZAMIDINE

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
PS0010813Serine/Threonine protein kinases active-site signature. [LIVMFYC]-x-[HY]-x-D-[LIVMFY]-K-x(2)-N-[LIVMFYCT](3)
ChainResidueDetails
AILE152-ILE164

PS0010724Protein kinases ATP-binding region signature. [LIV]-G-{P}-G-{P}-[FYWMGSTNH]-[SGA]-{PW}-[LIVCAT]-{PD}-x-[GSTACLIVMFY]
ChainResidueDetails
AVAL45-LYS68

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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
SWS_FT_FI11Proton acceptor.
ChainResidueDetails
AASP151

SWS_FT_FI21ATP.
ChainResidueDetails
ALYS63

SWS_FT_FI39ATP.
ChainResidueDetails
AVAL40-VAL48

extCATRES12Mapped from 2phk to 1lr4 using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892
ChainResidueDetails
AASP149acid/base, activates substrate. removes proton from substrate, which then goes on to attack phosphate group of ATP
ALYS151transition-state stabilisation. stabilises pentavalent phosphate intermediate

CSA12Annotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP156
AHIS160

CSA22Annotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP156
ALYS158

CSA33Annotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP156
ALYS158
ASER194

CSA43Annotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP156
AASN161
ALYS158

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Catalytic Information from CSA

site_idNumber of ResiduesDetails
CSA12Annotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP156
AHIS160

CSA22Annotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP156
ALYS158

CSA33Annotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP156
ALYS158
ASER194

CSA43Annotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP156
AASN161
ALYS158