Structure of PDB 3qyy Chain B Binding Site BS03

Receptor Information
>3qyy Chain B (length=156) Species: 340 (Xanthomonas campestris pv. campestris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLKRHALFDPLTEALNRRGCEQAMRDSVTAAQREGWPFVLFVLDMDNLKP
INDRFGHLAGDRVLVRLVESAYGWLGAQDWIGRWGGDEFLIGVHASEDEA
TLKLNQWLSMLEEAPLHVSAGSAVCEVGIDATELYRRADAAMYRAKFSGG
RRLVRD
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 B Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		D44 D87
Annotation score1
Binding affinityManual survey: Ki=6.54uM (22120736)
Enzymatic activity
Enzyme Commision number 2.7.7.65: diguanylate cyclase.
External links