BioLiP

Structure of PDB 3c9s Chain B

Receptor sequence

>3c9sB (length=302) Species: 63363 (Aquifex aeolicus) [Search protein sequence]

QGSFTMRLKELGEFGLIDLIKKTLESKVIGDDTAPVEYCSKKLLLTTDVL
NEGVHFLRSYIPEAVGWKAISVNVSDVIANGGLPKWALISLNLPEDLEVS
YVERFYIGVKRACEFYKCEVVGGNISKSEKIGISVFLVGETERFVGRDGA
RLGDSVFVSGTLGDSRAGLELLLMEKEEYEPFELALIQRHLRPTARIDYV
KHIQKYANASMDISDGLVADANHLAQRSGVKIEILSEKLPLSNELKMYCE
KYGKNPIEYALFGGEDYQLLFTHPKERWNPFLDMTEIGRVEEGEGVFVDG
KK

3D structure

PDB

3c9s Structural studies of thiamin monophosphate kinase in complex with substrates and products.

Chain

Resolution

2.2 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)
BS01	ACP	B	I12 I15 I24 G25 D26 D27 S209	I17 I20 I29 G30 D31 D32 S214
BS02	MG	B	D27 D71 D207	D32 D76 D212
BS03	MG	B	T42 D43	T47 D48
BS04	MG	B	D43 D71	D48 D76
BS05	ACP	B	I84 Y101 G117 G118 N119 I120	I89 Y106 G122 G123 N124 I125

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

View graph for
Molecular Function

View graph for
Biological Process

PDB	RCSB:3c9s, PDBe:3c9s, PDBj:3c9s
PDBsum	3c9s
PubMed	18311927
UniProt	O67883\|THIL_AQUAE Thiamine-monophosphate kinase (Gene Name=thiL)