Structure of PDB 6c9p Chain A

Receptor sequence
>6c9pA (length=313) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
TIAVTGSIATDHLMRFPGRFSEVSLSFLVDDLVMHRGGVAGNMAFAIGVL
GGEVALVGAAGADFADYRDWLKARGVNCDHVLISETAHTARFTCTTDVDM
AQIASFYPGAMSEARNIKLADVVSAIGKPELVIIGANDPEAMFLHTEECR
KLGLAFAADPSQQLARLSGEEIRRLVNGAAYLFTNDYEWDLLLSKTGWSE
ADVMAQIDLRVTTLGPKGVDLVEPDGTTIHVGVVPETSQTDPTGVGDAFR
AGFLTGRSAGLGLERSAQLGSLVAVLVLESTGTQEWQWDYEAAASRLAGA
YGEHAAAEIVAVL
3D structure
PDB6c9p Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
ChainA
Resolution2.0 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.7.1.20: adenosine 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 MTP A S8 D12 G48 V49 N52 F102 F116 Q172 R176 D257 S7 D11 G38 V39 N42 F92 F106 Q162 R166 D247 PDBbind-CN: -logKd/Ki=5.64,IC50=2.3uM
BindingDB: IC50=2300nM
BS02 MTP A G225 P226 V243 E246 V285 L288 G215 P216 V233 E236 V275 L278 PDBbind-CN: -logKd/Ki=5.64,IC50=2.3uM
BindingDB: IC50=2300nM
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004001 adenosine kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
GO:0032567 dGTP binding
Biological Process
GO:0006166 purine ribonucleoside salvage
GO:0016310 phosphorylation
GO:0044209 AMP salvage
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6c9p, PDBe:6c9p, PDBj:6c9p
PDBsum6c9p
PubMed31002508
UniProtP9WID5|ADOK_MYCTU Adenosine kinase (Gene Name=adoK)

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