Structure of PDB 5h5o Chain A Binding Site BS01

Receptor Information
>5h5o Chain A (length=125) Species: 509169 (Xanthomonas campestris pv. campestris str. B100) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLHALMTAEELAFFARFGRMREIAAGQALFERGAVGTQMFIVVTGQIDLD
FGEDLMLKHLGPGEFFGELGLLIGDHARSAGASASVDSRLIELAHDDFQR
LVDHDPSMVAHFLRRSIVRVVNNEQ
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 chain5h5o Chain A Residue 201 [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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PDB5h5o A cyclic GMP-dependent signalling pathway regulates bacterial phytopathogenesis
Resolution2.122 Å
Binding residue
(original residue number in PDB)		L71 F73 K80 F88 G89 E90 H98 R100 S101 R141 N145 E146
Binding residue
(residue number reindexed from 1)		L49 F51 K58 F66 G67 E68 H76 R78 S79 R119 N123 E124
Annotation score4
Binding affinityMOAD: Kd=0.293uM
PDBbind-CN: -logKd/Ki=6.56,Kd=274nM
Enzymatic activity
Enzyme Commision number 2.7.7.65: diguanylate cyclase.
External links