Structure of PDB 3rzi Chain B

Receptor sequence

>3rziB (length=457) Species: 83332 (Mycobacterium tuberculosis H37Rv)

MNWTVDIPILPPLPTDLRTRLDAALAKPAAQQPTWPADQALAMRTVLESV
PPVTVPSEIVRLQEQLAQVAKGEAFLLQGGDCAETFMDNTEPHIRGNVRA
LLQMAVVLTYGASMPVVKVARIAGQYAKPRSADIDALGLRSYRGDMINGF
APDAAAREHDPSRLVRAYANASAAMNLVRALTSSGLASLHLVHDWNREFV
RTSPAGARYEALATEIDRGLRFMSACGVADRNLQTAEIYASHEALVLDYE
RAMLRLSDGDDGEPQLFDLSAHTVWIGERTRQIDGAHIAFAQVIANPVGV
KLGPNMTPELAVEYVERLDPHNKPGRLTLVSRMGNHKVRDLLPPIVEKVQ
ATGHQVIWQCDPMHGNTHESSTGFKTRHFDRIVDEVQGFFEVHRALGTHP
GGIHVEITGENVTECLGGAQDISETDLAGRYETACDPRLNTQQSLELAFL
VAEMLRD

3D structure

• PDB: 3rzi Dynamic cross-talk among remote binding sites: the molecular basis for unusual synergistic allostery.
• Chain: B
• 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	B	C87 H369 E411 D441	C82 H364 E406 D436
BS02	PHE	B	R171 A174 N175	R166 A169 N170
BS03	TRP	B	K123 A192 N237 L238 T240 A241	K118 A187 N232 L233 T235 A236	PDBbind-CN: -logKd/Ki=5.33,Kd=4.7uM
BS04	PO4	B	G282 E283 K306 R337	G277 E278 K301 R332

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)