Structure of PDB 3rzi Chain A

Receptor sequence

>3rziA (length=453) Species: 83332 (Mycobacterium tuberculosis H37Rv)

NWTVDIPIDQPPLPTDLRTRLDAALAKPAAQQPTWPADQALAMRTVLESV
PPVTVPSEIVRLQEQLAQVAKGEAFLLQGGDCAETFMDNTEPHIRGNVRA
LLQMAVVLTYGASMPVVKVARIAGQYAKPRSADIDALGLRSYRGDMINGF
APDAAAREHDPSRLVRAYANASAAMNLVRALTSSGLASLHLVHDWNREFV
RTSPAGARYEALATEIDRGLRFMSACGVADRNLQTAEIYASHEALVLDYE
RAMLRLSDGPQLFDLSAHTVWIGERTRQIDGAHIAFAQVIANPVGVKLGP
NMTPELAVEYVERLDPHNKPGRLTLVSRMGNHKVRDLLPPIVEKVQATGH
QVIWQCDPMHGNTHESSTGFKTRHFDRIVDEVQGFFEVHRALGTHPGGIH
VEITGENVTECLGGAQDISETDLAGRYETACDPRLNTQQSLELAFLVAEM
LRD

3D structure

• PDB: 3rzi Dynamic cross-talk among remote binding sites: the molecular basis for unusual synergistic allostery.
• Chain: A
• Resolution: 1.95 Å

Enzymatic activity

• Enzyme Commision number: 2.5.1.54: 3-deoxy-7-phosphoheptulonate synthase.

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	MN	A	C87 H369 E411 D441	C82 H360 E402 D432
BS02	PHE	A	F91 M92 R171 A174 N175	F86 M87 R166 A169 N170
BS03	TRP	A	K123 L194 N237 L238 T240	K118 L189 N232 L233 T235	PDBbind-CN: -logKd/Ki=5.33,Kd=4.7uM
BS04	PO4	A	G282 E283 K306 R337 H369	G273 E274 K297 R328 H360

Gene Ontology

Molecular Function

• GO:0003849 3-deoxy-7-phosphoheptulonate synthase activity
• GO:0005515 protein binding
• GO:0016740 transferase activity
• GO:0030145 manganese ion binding
• 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:0051260 protein homooligomerization

Cellular Component

• GO:0005829 cytosol
• GO:0005886 plasma membrane
• GO:0009274 peptidoglycan-based cell wall

External links

• PDB: RCSB:3rzi, PDBe:3rzi, PDBj:3rzi
• PDBsum: 3rzi
• PubMed: 22154807
• UniProt: O53512|AROG_MYCTU Phospho-2-dehydro-3-deoxyheptonate aldolase AroG (Gene Name=aroG)