Structure of PDB 4rcv Chain A Binding Site BS01

Receptor Information
>4rcv Chain A (length=370) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLRVVVLGSTGSIGTQALQVIADNPDRFEVVGLAAGGAHLDTLLRQRAQT
GVTNIAVADEHAAQRVGDIPYHGSDAATRLVEQTEADVVLNALVGALGLR
PTLAALKTGARLALANKESLVAGGSLVLRAARPGQIVPVDSEHSALAQCL
RGGTPDEVAKLVLTASGGPFRGWSAADLEHVTPEQAGPMNTLNSASLVNK
GLEVIETHLLFGIPYDRIDVVVHPQSIIHSMVTFIDGSTIAQASPPDMKL
PISLALGWPRRVSGAAAACDFHTASSWEFEPLDTDVFPAVELARQAGVAG
GCMTAVYNAANEEAAAAFLAGRIGFPAIVGIIADVLHAADQWAVEPATVD
DVLDAQRWARERAQRAVSGM
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4rcv Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rcv The role of phosphate in a multistep enzymatic reaction: reactions of the substrate and intermediate in pieces.
Resolution2.294 Å
Binding residue
(original residue number in PDB)		D151 E153 E222
Binding residue
(residue number reindexed from 1)		D140 E142 E203
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.267: 1-deoxy-D-xylulose-5-phosphate reductoisomerase.
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

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Molecular Function
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Biological Process
External links
PDB RCSB:4rcv, PDBe:4rcv, PDBj:4rcv
PDBsum4rcv
PubMed25642788
UniProtP9WNS1|DXR_MYCTU 1-deoxy-D-xylulose 5-phosphate reductoisomerase (Gene Name=dxr)

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