Structure of PDB 3wqm Chain A

Receptor sequence
>3wqmA (length=294) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
AMNLVSEKEFLDLPLVSVAEIVRCRGPKVSVFPFDGTRRWFHLECNDDYQ
QAALRQSIRILKMLFEHGIETVISPIFSDDLLDRGDRYIVQALEGMALLA
NDEEILSFYKEHEVHVLFYGDYKKRLPSTAQGAAVVKSFDDLTISTSSNT
EHRLCFGVFGNDAAESVAQFSISWNETHGKPPTRREIIEGYYGEYVDKAD
MFIGFGRFSTFDFPLLSSGKTSLYFTVAPSYYMTETTLRRILYDHIYLRH
FRPKPDYSAMSADQLNVLRNRYRAQPDRVFGVGCVHDGIWFAEG
3D structure
PDB3wqm Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
ChainA
Resolution2.1 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D34 R38 Y51 Y90
Catalytic site (residue number reindexed from 1) D35 R39 Y49 Y88
Enzyme Commision number 2.5.1.153: adenosine tuberculosinyltransferase.
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 B29 A G35 R37 R38 H41 G36 R38 R39 H42 MOAD: Kd=560nM
PDBbind-CN: -logKd/Ki=6.25,Kd=560nM
BS02 B29 A D34 T36 Y51 Q52 S59 F79 Y90 G97 Y233 D35 T37 Y49 Q50 S57 F77 Y88 G95 Y231 MOAD: Kd=560nM
PDBbind-CN: -logKd/Ki=6.25,Kd=560nM
BS03 PO4 A G221 K222 T223 S224 R251 H252 G219 K220 T221 S222 R249 H250
BS04 PO4 A K7 E8 D11 K8 E9 D12
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0016791 phosphatase activity
GO:0062204 (13S)-vitexifolin A synthase activity
Biological Process
GO:0016102 diterpenoid biosynthetic process
GO:0035440 tuberculosinol biosynthetic process
GO:0052572 response to host immune response

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Molecular Function
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Biological Process
External links
PDB RCSB:3wqm, PDBe:3wqm, PDBj:3wqm
PDBsum3wqm
PubMed24475925
UniProtP9WJ61|TUBAT_MYCTU Tuberculosinyl adenosine transferase (Gene Name=Rv3378c)

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