Structure of PDB 8a45 Chain E Binding Site BS03

Receptor Information
>8a45 Chain E (length=567) 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
VAVIGDGALTAGMAFEALNHASEVDADMLVILNDNDMSISHNVGGLSNYL
FEELGWNYIGPIDGHDLPTLVATLRNMRDMKGPQFLHVVTKKGKGFAPAE
LDPIGYHAITKLETGGPKYSSVFGQWLCDMAAQDARLLGITPAMKEGSDL
VAFSERYPERYFDVAIAEQHAVTLAAGMACEGMKPVVAIYSTFLQRAYDQ
LIHDVAVQHLDVLFAIDRAGLVGEDGPTHAGSFDISYLRCIPGMLVMTPS
DEDELRKLLTTGYLFDGPAAVRYPRGSGPNHPIDPDLQPVEIGKGVVRRR
GGRVALLVFGVQLAEAMKVAESLDATVVDMRFVKPLDEALVRELAGSHEL
LVTIEENAVMGGAGSAVGEFLASEGLEVPLLQLGLPDYYVEHAKPSEMLA
ECGLDAAGIEKAVRQRL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8a45 Chain E Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8a45 Structural analysis of 1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa with 2-acetyl thiamine diphosphate
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D486 D488
Binding residue
(residue number reindexed from 1)		D434 D436
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:8a45, PDBe:8a45, PDBj:8a45
PDBsum8a45
PubMed37567475
UniProtB7V7R4|DXS_PSEA8 1-deoxy-D-xylulose-5-phosphate synthase (Gene Name=dxs)

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