Structure of PDB 3wqn Chain A

Receptor sequence

>3wqnA (length=292) Species: 1773 (Mycobacterium tuberculosis)

AMNLVSEKEFLDLPLVSVAEIVRCRGPKVSVFPFDGTRRWFHLECDFQQA
ALRQSIRILKMLFEHGIETVISPIFSDDLLDRGDRYIVQALEGMALLAND
EEILSFYKEHEVHVLFYGDYKKRLPSTAQGAAVVKSFDDLTISTSSNTEH
RLCFGVFGNDAAESVAQFSISWNETHGKPPTRREIIEGYYGEYVDKADMF
IGFGRFSTFDFPLLSSGKTSLYFTVAPSYYMTETTLRRILYDHIYLRHFR
PKPDYSAMSADQLNVLRNRYRAQPDRVFGVGCVHDGIWFAEG

3D structure

• PDB: 3wqn Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
• Chain: A
• Resolution: 2.7 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D34 R38 F51 Y90
• Catalytic site (residue number reindexed from 1): D35 R39 F47 Y86
• 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	PO4	A	D81 N163 D214	D77 N159 D210
BS02	PO4	A	G221 K222 T223 S224 R251	G217 K218 T219 S220 R247
BS03	9AX	A	F33 G35 T36 R37 R38 A55 L56 I78 F79 Y233	F34 G36 T37 R38 R39 A51 L52 I74 F75 Y229

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

External links

• PDB: RCSB:3wqn, PDBe:3wqn, PDBj:3wqn
• PDBsum: 3wqn
• PubMed: 24475925
• UniProt: P9WJ61|TUBAT_MYCTU Tuberculosinyl adenosine transferase (Gene Name=Rv3378c)