Structure of PDB 4rcv Chain B

Receptor sequence

>4rcvB (length=377) Species: 83332 (Mycobacterium tuberculosis H37Rv)

GRLRVVVLGSTGSIGTQALQVIADNPDRFEVVGLAAGGAHLDTLLRQRAQ
TGVTNIAVADEHAAQRVGDIPYHGSDAATRLVEQTEADVVLNALVGALGL
RPTLAALKTGARLALANKESLVAGGSLVLRAARPGQIVPVDSEHSALAQC
LRGGTPDEVAKLVLTASGGPFRGWSAADLEHVTPEQAGATWSMGPMNTLN
SASLVNKGLEVIETHLLFGIPYDRIDVVVHPQSIIHSMVTFIDGSTIAQA
SPPDMKLPISLALGWPRRVSGAAAACDFHTASSWEFEPLDTDVFPAVELA
RQAGVAGGCMTAVYNAANEEAAAAFLAGRIGFPAIVGIIADVLHAADQWA
VEPATVDDVLDAQRWARERAQRAVSGM

3D structure

• PDB: 4rcv The role of phosphate in a multistep enzymatic reaction: reactions of the substrate and intermediate in pieces.
• Chain: B
• Resolution: 2.294 Å

Enzymatic activity

• Enzyme Commision number: 1.1.1.267: 1-deoxy-D-xylulose-5-phosphate reductoisomerase.

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	D151 E153 E222	D141 E143 E210
BS02	NDP	B	G19 T21 G22 S23 I24 G47 G48 A49 H50 A103 V105	G9 T11 G12 S13 I14 G37 G38 A39 H40 A93 V95
BS03	PO3	B	A176 S177 S213 K219	A166 S167 S201 K207

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016491 oxidoreductase activity
• GO:0030145 manganese ion binding
• GO:0030604 1-deoxy-D-xylulose-5-phosphate reductoisomerase activity
• GO:0046872 metal ion binding
• GO:0050897 cobalt ion binding
• GO:0070402 NADPH binding

Biological Process

• GO:0008299 isoprenoid biosynthetic process
• GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
• GO:0051483 terpenoid biosynthetic process, mevalonate-independent
• GO:0051484 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway involved in terpenoid biosynthetic process

External links

• PDB: RCSB:4rcv, PDBe:4rcv, PDBj:4rcv
• PDBsum: 4rcv
• PubMed: 25642788
• UniProt: P9WNS1|DXR_MYCTU 1-deoxy-D-xylulose 5-phosphate reductoisomerase (Gene Name=dxr)