Structure of PDB 8a4d Chain C Binding Site BS02

Receptor Information
>8a4d Chain C (length=563) Species: 557722 (Pseudomonas aeruginosa LESB58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLHEIPRERPATPLLDRASSPAELRRLGEADLETLADELRQYLLYTVGQT
GGHFGAGLGVVELTIALHYVFDTPDDRLVWDVGHQAYPHKILTERRELMG
TLRQKNGLAAFPRRAESEYDTFGVGHSSTSISAALGMAIAARLQGKERKS
VAVIGDGALTAGMAFEALNHASEVDADMLVILNDNDMGPGTLFEELGWNY
IGPIDGHDLPTLVATLRNMRDMKGPQFLHVVTKKGKGFAPAELDPIGYHA
ITKLEATGGPKYSSVFGQWLCDMAAQDARLLGITPAMKEGSDLVAFSERY
PERYFDVAIAEQHAVTLAAGMACEGMKPVVAIYSTFLQRAYDQLIHDVAV
QHLDVLFAIDRAGLVGEDGPTHAGSFDISYLRCIPGMLVMTPSDEDELRK
LLTTGYLFDGPAAVRYPRGSGPNHPIDPDLQPVEIGKGVVRRRGGRVALL
VFGVQLAEAMKVAESLDATVVDMRFVKPLDEALVRELAGSHELLVTIEEN
AVMGGAGSAVGEFLASEGLEVPLLQLGLPDYYVEHAKPSEMLAECGLDAA
GIEKAVRQRLDRQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8a4d Chain C Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8a4d 1-deoxy-D-xylulose-5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D187 N216
Binding residue
(residue number reindexed from 1)		D156 N185
Annotation score1
Enzymatic activity
Enzyme Commision number 2.2.1.7: 1-deoxy-D-xylulose-5-phosphate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008661 1-deoxy-D-xylulose-5-phosphate synthase activity
Biological Process
GO:0016114 terpenoid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8a4d, PDBe:8a4d, PDBj:8a4d
PDBsum8a4d
PubMed37567475
UniProtB7V7R4|DXS_PSEA8 1-deoxy-D-xylulose-5-phosphate synthase (Gene Name=dxs)

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