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1MRS

CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH 5-CH2OH DEOXYURIDINE MONOPHOSPHATE

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0004798molecular_functionthymidylate kinase activity
A0005524molecular_functionATP binding
A0005525molecular_functionGTP binding
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006227biological_processdUDP biosynthetic process
A0006233biological_processdTDP biosynthetic process
A0006235biological_processdTTP biosynthetic process
A0009165biological_processnucleotide biosynthetic process
A0016301molecular_functionkinase activity
A0042803molecular_functionprotein homodimerization activity
A0046044biological_processTMP metabolic process
A0046872molecular_functionmetal ion binding
A0046940biological_processnucleoside monophosphate phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 219
ChainResidue
AGLN121
ALYS132
AALA154
AARG162
AARG167
ATRP187
AGLY188
AHOH323

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 220
ChainResidue
AALA11
AGLY12
ALYS13
AARG14
AARG153
AHOH309
AHOH315
AGLY10

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 300
ChainResidue
AASP9
AGLU166
A5HU217
AHOH301
AHOH317
AHOH320

site_idAC4
Number of Residues17
DetailsBINDING SITE FOR RESIDUE 5HU A 217
ChainResidue
AASP9
APRO37
ATYR39
APHE70
AARG74
AARG95
AASN100
ATYR103
ATYR165
AMG300
AHOH301
AHOH310
AHOH316
AHOH317
AHOH320
AHOH325
AHOH359

Functional Information from PROSITE/UniProt
site_idPS01331
Number of Residues13
DetailsTHYMIDYLATE_KINASE Thymidylate kinase signature. ILDRYvaSNaAYS
ChainResidueDetails
AILE92-SER104

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues11
DetailsBINDING:
ChainResidueDetails
AGLY7
ATYR165
AGLU166
AASP9
ATYR39
APHE70
AARG74
AARG95
AASN100
ATYR103
AASP163

site_idSWS_FT_FI2
Number of Residues1
DetailsSITE: Transition state stabilizer => ECO:0000255
ChainResidueDetails
AARG153

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PDB entries from 2024-07-17

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