Structure of PDB 5krr Chain A Binding Site BS01

Receptor Information
>5krr Chain A (length=391) Species: 216895 (Vibrio vulnificus CMCP6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMQKLTILGATGSIGASTLKVIEQNPDKFSVVALAADSNVEKMQQLCQRW
QPEYAVMANKEAALRLKMALAVLAPNTQVLGGQEALCYVATLEQVDSVMA
AIVGAAGLVPTMAAVKAGKRILLANKEALVMSGQLFIDEVEKSGAQLLPV
DSEHNAIFQCLPQTVQGNLGRCDLASQGVSHILLTGSGGPFRYTDVAELE
AVTPEQAIGPKISVDSATMMNKGLEYIEAKWLFNASRDQLKVIIHPQSVI
HSMVQYLDGSVLAQMGEPDMATPIALTLSYPERVKAGVKPLDFTQVGELT
FLQPDFERYPCLALAIEACYLGQHATTTLNAANEVAVAAFLARQIKFTDI
ARVNDSVLNQVCKQGLDSLESLLELDRMARTLADEVVRERA
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 chain5krr Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5krr Structural characterization of 1-deoxy-D-xylulose 5-phosphate Reductoisomerase from Vibrio vulnificus.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E152 E231
Binding residue
(residue number reindexed from 1)		E153 E225
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.267: 1-deoxy-D-xylulose-5-phosphate reductoisomerase.
Gene Ontology
Molecular Function
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:0070402 NADPH binding
Biological Process
GO:0008299 isoprenoid biosynthetic process
GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
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:5krr, PDBe:5krr, PDBj:5krr
PDBsum5krr
PubMed30278288
UniProtQ8DBF5|DXR_VIBVU 1-deoxy-D-xylulose 5-phosphate reductoisomerase (Gene Name=dxr)

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