Structure of PDB 5ks1 Chain B Binding Site BS02

Receptor Information
>5ks1 Chain B (length=397) 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
AVTPEQAIAHPNWSMGPKISVDSATMMNKGLEYIEAKWLFNASRDQLKVI
IHPQSVIHSMVQYLDGSVLAQMGEPDMATPIALTLSYPERVKAGVKPLDF
TQVGELTFLQPDFERYPCLALAIEACYLGQHATTTLNAANEVAVAAFLAR
QIKFTDIARVNDSVLNQVCKQLDSLESLLELDRMARTLADEVVRERA
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 chain5ks1 Chain B Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ks1 Structural characterization of 1-deoxy-D-xylulose 5-phosphate Reductoisomerase from Vibrio vulnificus.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E152 E231
Binding residue
(residue number reindexed from 1)		E153 E232
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:5ks1, PDBe:5ks1, PDBj:5ks1
PDBsum5ks1
PubMed30278288
UniProtQ8DBF5|DXR_VIBVU 1-deoxy-D-xylulose 5-phosphate reductoisomerase (Gene Name=dxr)

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