Structure of PDB 8r3o Chain A Binding Site BS02

Receptor Information
>8r3o Chain A (length=664) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATRRQLANAIRVLAMDSVQKAKSGHPGAPMGMADIAEVLWRDFLKHNPTN
PKWADRDRFVLSNGHGSMLIYSLLHLTGYDLSIEDLKQFRQLHSKTPGHP
EYGYAPGVETTTGPLGQGITNAVGMAIAEKTLAGQFNREGHEIVDHHTYV
FLGDGCLMEGISHEACSLAGTLGLGKLIAFYDDNNISIDGHVDGWFSDDT
AERFEAYGWQVIRNVDGHDAEQIRAATILAQAEKGKPTLIICKTIIGFGS
PNKSGSHDSHGAPLGDEEIDLTRKALGWEYAPFEIPAEYYAEWSAKEKGA
AAEKSWEEKFAAYAKAYPELAAEFKRRVSGELPTNWAAESKAFIEKLQAN
PASIASRKASQNAIEAYAHVLPEFLGGSADLASSNLTLWSGSKPIRAHEN
VGGNYINYGVREFGMSAIMNGIALHGGFIPYGATFLMFYEYAHNAVRMAA
LMKQRTLFVYTHDSIGLGEDGPTHQPVEQTASLRLIPNLETWRPCDQVES
AIAWQQAVERQDGPSALIFTRQNLAQMDRTSAQLDAVKRGAYVLKDCDGT
PELIFIATGSEVELAVQAAEALSAEGKKVRVVSMPSTNRFDKQDAAYRES
VLPAAVTKRVAIEAGIADFWYKYVGFNGRVIGMNSFGESAPADQLFKLFG
FTVENVVAKAKEIL
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 chain8r3o Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8r3o Are Transketolases relevant Targets fighting Human Pathogens? A comparative Biochemical, Bioinformatic and Structural Study
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D155 N185 I187
Binding residue
(residue number reindexed from 1)		D154 N184 I186
Annotation score1
Enzymatic activity
Enzyme Commision number 2.2.1.1: transketolase.
Gene Ontology
Molecular Function
GO:0004802 transketolase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006098 pentose-phosphate shunt
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8r3o, PDBe:8r3o, PDBj:8r3o
PDBsum8r3o
PubMed
UniProtP43757|TKT_HAEIN Transketolase (Gene Name=tktA)

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