Structure of PDB 4bqs Chain B

Receptor sequence
>4bqsB (length=169) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFAT
DGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLE
ISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTN
RRNPGAVVRHILSRLQVPS
3D structure
PDB4bqs Mycobacterium tuberculosis shikimate kinase inhibitors: design and simulation studies of the catalytic turnover.
ChainB
Resolution2.15 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.7.1.71: shikimate 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 ADP B P11 G12 G14 K15 S16 T17 R110 R153 P155 P10 G11 G13 K14 S15 T16 R109 R152 P154
BS02 K2Q B D34 G79 G80 G81 R136 D33 G78 G79 G80 R135 MOAD: Ki=62uM
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004765 shikimate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0009423 chorismate biosynthetic process
GO:0016310 phosphorylation
GO:0019632 shikimate metabolic process
GO:0019752 carboxylic acid metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4bqs, PDBe:4bqs, PDBj:4bqs
PDBsum4bqs
PubMed23889343
UniProtP9WPY3|AROK_MYCTU Shikimate kinase (Gene Name=aroK)

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