Structure of PDB 3qyy Chain A Binding Site BS02

Receptor Information
>3qyy Chain A (length=153) Species: 340 (Xanthomonas campestris pv. campestris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HALFDPLTEALNRRGCEQAMRDSVTAAQREGWPFVLFVLDMDNLKPINDR
FGHLAGDRVLVRLVESAYGWLGAQDWIGRWGGDEFLIGVHASEDEATLKL
NQWLSMLEREAPLHVSAGSAVCEVGIDATELYRRADAAMYRAKFSGGRRL
VRD
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 chain3qyy Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qyy The structure and inhibition of a GGDEF diguanylate cyclase complexed with (c-di-GMP)(2) at the active site
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D173 D216
Binding residue
(residue number reindexed from 1)		D40 D83
Annotation score1
Binding affinityManual survey: Ki=6.54uM (22120736)
Enzymatic activity
Enzyme Commision number 2.7.7.65: diguanylate cyclase.
External links