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1MRN

CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH BISUBSTRATE INHIBITOR (TP5A)

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 Residues10
DetailsBINDING SITE FOR RESIDUE SO4 A 219
ChainResidue
AGLN121
AHOH311
ALYS132
AALA154
AGLN155
AALA161
AARG162
AARG167
ATRP187
AGLY188

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 220
ChainResidue
AGLY10
AALA11
AGLY12
ALYS13
AARG14
AARG153
AHOH306

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A 300
ChainResidue
AASP9
AGLU166
AT5A301

site_idAC4
Number of Residues27
DetailsBINDING SITE FOR RESIDUE T5A A 301
ChainResidue
AASP9
APRO37
ATYR39
AALA49
AGLU50
AHIS53
AGLU55
APHE70
AARG74
AARG95
ASER99
AASN100
ATYR103
AARG122
AARG160
AASP163
ATYR165
AGLU166
AMG300
AHOH306
AHOH309
AHOH318
AHOH328
AHOH329
AHOH331
AHOH334
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
AASP9
ATYR39
APHE70
AARG74
AARG95
AASN100
ATYR103
AASP163
ATYR165
AGLU166
AGLY7

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

220472

PDB entries from 2024-05-29

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