Structure of PDB 6hq7 Chain A Binding Site BS03

Receptor Information
>6hq7 Chain A (length=377) Species: 264462 (Bdellovibrio bacteriovorus HD100) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSVDIHKDQIIFSEGDAGDCAYIIEKGRVLIYLTKDKEEIPLTILGEGEI
FGEMALIDNQNRSASVRALEDVRLAIVTKQQVLERVSTADKVVQLLMRVL
LKRLRRPGGSRISSALDQIKLENQIFQAFQNKEFELFYQPIVNLKNKTIT
GCEALLRWNSPQHGLVSPNLFIDIIENSSMVIPIGHWIINQALKDLRTIQ
DQLRLNKKERMADDFMMSINISGRQFTHSDFVNNLEDLREKHDLHTQNIK
LEMTERIMMDGAIAIDALNQCRSLGYAISIDDFGTGFSGLQYLTQMPISF
LKIDRSFVMKILSDPKSKAVVSSIIHLAHAMDIEVIAEGIEHHEEALVLE
TLGARFGQGYLFSKPVDLGRFLKLIKL
Ligand information
Ligand IDPCG
InChIInChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
InChIKeyZOOGRGPOEVQQDX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=C(NC2=O)N
ACDLabs 10.04O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
FormulaC10 H12 N5 O7 P
NameCYCLIC GUANOSINE MONOPHOSPHATE
ChEMBLCHEMBL395336
DrugBankDB02315
ZINCZINC000004095501
PDB chain6hq7 Chain B Residue 901 [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]
PDB6hq7 Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Resolution2.46 Å
Binding residue
(original residue number in PDB)		R108 R111
Binding residue
(residue number reindexed from 1)		R103 R106
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=6.11,Kd=0.769uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6hq7, PDBe:6hq7, PDBj:6hq7
PDBsum6hq7
PubMed31355487
UniProtQ6MLN6

[Back to BioLiP]