Structure of PDB 8a30 Chain A Binding Site BS01

Receptor Information
>8a30 Chain A (length=652) Species: 324602 (Chloroflexus aurantiacus J-10-fl) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GWAESLIGLHLGKVALITGGSAGIGGQIGRLLALSGARVMLAARDRHKLE
QMQAMIQSELAEVGYTDVEDRVHIAPGCDVSSEAQLADLVERTLSAFGTV
DYLINNAGIAGVEEMVIDMPVEGWRHTLFANLISNYSLMRKLAPLMKKQG
SGYILNVSSYFGGEKDAAIPYPNRADYAVSKAGQRAMAEVFARFLGPEIQ
INAIAPGPVEGDRLGLFARRARLILENKRLNELHAALIAAARTDERSMHE
LVELLLPNDVAALEQNPAAPTALRELARRFRSEGDPAASSSSALLNRSIA
AKLLARLHNGGYVLPADIFANLPNPPDPFFTRAQIDREARKVRDGIMGML
YLQRMPTEFDVAMATVYYLADRNVSGETFHPSGGLRYERTPTGGELFGLP
SPERLAELVGSTVYLIGEHLTEHLNLLARAYLERYGARQVVMIVETETGA
ETMRRLLHDHVEAGRLMTIVAGDQIEAAIDQAITRYGRPGPVVCTPFRPL
PTVPLVGRKDSDWSTVLSEAEFAELCEHQLTHHFRVARKIALSDGASLAL
VTPETTATSTTEQFALANFIKTTLHAFTATIGVESERTAQRILINQVDLT
RRARAEEPRDPHERQQELERFIEAVLLVTAPLPPEADTRYAGRIHRGRAI
TV
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 chain8a30 Chain A Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8a30 Dynamic lid domain of Chloroflexus aurantiacus Malonyl-CoA Reductase controls the reaction
Resolution1.45 Å
Binding residue
(original residue number in PDB)		T1122 E1174 E1184
Binding residue
(residue number reindexed from 1)		T555 E607 E617
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links