Structure of PDB 4cmx Chain A

Receptor sequence

>4cmxA (length=293) Species: 83332 (Mycobacterium tuberculosis H37Rv)

VSEKEFLDLPLVSVAEIVRCRGPKVSVFPFDGTRRWFHLECNPQYDDYQQ
AALRQSIRILKMLFEHGIETVISPIFSDDLLDRGDRYIVQALEGMALLAN
DEEILSFYKEHEVHVLFYGDYKKRLPSTAQGAAVVKSFDDLTISTSSNTE
HRLCFGVFGNDAAESVAQFSISWNETHGKPPTRREIIEGYYGEYVDKADM
FIGFGRFSTFDFPLLSSGKTSLYFTVAPSYYMTETTLRRILYDHIYLRHF
RPKPDYSAMSADQLNVLRNRYRAQPDRVFGVGCVHDGIWFAEG

3D structure

• PDB: 4cmx Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
• Chain: A
• Resolution: 2.36 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D34 R38 Y51 Y90
• Catalytic site (residue number reindexed from 1): D31 R35 Y48 Y87
• 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	BHC	A	R37 R38 D85 R86 R89	R34 R35 D82 R83 R86
BS02	BHC	A	H252 R254 K256	H249 R251 K253
BS03	BHC	A	K256 P257 Y259	K253 P254 Y256

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:4cmx, PDBe:4cmx, PDBj:4cmx
• PDBsum: 4cmx
• PubMed: 24516143
• UniProt: P9WJ61|TUBAT_MYCTU Tuberculosinyl adenosine transferase (Gene Name=Rv3378c)