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3UWK

Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004798molecular_functionthymidylate kinase activity
A0005524molecular_functionATP binding
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006227biological_processdUDP biosynthetic process
A0006233biological_processdTDP biosynthetic process
A0006235biological_processdTTP biosynthetic process
A0009165biological_processnucleotide biosynthetic process
A0016301molecular_functionkinase activity
A0016310biological_processphosphorylation
A0016740molecular_functiontransferase activity
A0046940biological_processnucleoside monophosphate phosphorylation
B0000166molecular_functionnucleotide binding
B0004798molecular_functionthymidylate kinase activity
B0005524molecular_functionATP binding
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0006227biological_processdUDP biosynthetic process
B0006233biological_processdTDP biosynthetic process
B0006235biological_processdTTP biosynthetic process
B0009165biological_processnucleotide biosynthetic process
B0016301molecular_functionkinase activity
B0016310biological_processphosphorylation
B0016740molecular_functiontransferase activity
B0046940biological_processnucleoside monophosphate phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 0DF A 800
ChainResidue
AGLU12
AGLN105
AGLU39
APRO40
AMET70
AARG74
AARG96
AALA100
ATHR101
ATYR104

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG A 213
ChainResidue
AGLU158
AASP159
BGLU158
BASP159

site_idAC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 0DF B 801
ChainResidue
BGLU39
BPRO40
BMET70
BARG74
BARG96
BPHE97
BALA100
BTHR101
BTYR104
BGLN105
BASP153

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255
ChainResidueDetails
AGLY10
BGLY10

218853

PDB entries from 2024-04-24

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