Structure of PDB 3c9s Chain A

Receptor sequence
>3c9sA (length=304) Species: 63363 (Aquifex aeolicus) [Search protein sequence]
GSFTMRLKELGEFGLIDLIKKTLESKVIGDDTAPVEYCSKKLLLTTDVLN
EGVHFLRSYIPEAVGWKAISVNVSDVIANGGLPKWALISLNLPEDLEVSY
VERFYIGVKRACEFYKCEVVGGNISKSEKIGISVFLVGETERFVGRDGAR
LGDSVFVSGTLGDSRAGLELLLMEKEEYEPFELALIQRHLRPTARIDYVK
HIQKYANASMDISDGLVADANHLAQRSGVKIEILSEKLPLSNELKMYCEK
YGKNPIEYALFGGEDYQLLFTHPKERWNPFLDMTEIGRVEEGEGVFVDGK
KVEP
3D structure
PDB3c9s Structural studies of thiamin monophosphate kinase in complex with substrates and products.
ChainA
Resolution2.2 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.7.4.16: thiamine-phosphate kinase.
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 MG A T42 D43 T46 D47
BS02 MG A D27 D71 D207 D31 D75 D211
BS03 MG A D43 D71 D47 D75
BS04 ACP A I84 Y101 G117 G118 N119 I120 I88 Y105 G121 G122 N123 I124
BS05 ACP A I15 I24 G25 D26 S209 I19 I28 G29 D30 S213
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005524 ATP binding
GO:0009030 thiamine-phosphate kinase activity
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0009228 thiamine biosynthetic process
GO:0009229 thiamine diphosphate biosynthetic process
GO:0016310 phosphorylation

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Molecular Function

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Biological Process
External links
PDB RCSB:3c9s, PDBe:3c9s, PDBj:3c9s
PDBsum3c9s
PubMed18311927
UniProtO67883|THIL_AQUAE Thiamine-monophosphate kinase (Gene Name=thiL)

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