Structure of PDB 6zxc Chain C Binding Site BS02

Receptor Information
>6zxc Chain C (length=293) Species: 456481 (Leptospira biflexa serovar Patoc strain 'Patoc 1 (Paris)') [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKILIIEDSELQRKLLSRWVSKNGYIAIEAESISVAREKIISESIDVVLL
DWELPDGNGIDLISDILSTSPVGWLPIIMVTGHTEPEYFKIAIEAGATDY
ITKPAKEIELLARIFSALRIKALHDQLRETAIRDVMTGLYNRRYMEERIE
QEFQRCKRHDSLLSMAMIDIDKFKNINDTYGHEIGDQVIKQLAHELKTSF
AKSAIISRFGGEEFVILFPETGVVDATRILDRVRENVSKLEMKSDTDQIF
HFTFSGGVAGGDLSDIQSNQELLKIADKNLYEAKSSGRNQIIS
Ligand information
Ligand IDGH3
InChIInChI=1S/C10H16N5O13P3/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(26-9)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-5,9,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,9+/m0/s1
InChIKeyQGYIFQKZZSSUCR-OBXARNEKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C[CH]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)C[C@H]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(CC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
FormulaC10 H16 N5 O13 P3
Name3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL480707
DrugBank
ZINCZINC000031430873
PDB chain6zxc Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zxc Activation mechanism of a small prototypic Rec-GGDEF diguanylate cyclase.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		I175 D176 K177 F178 K179 N182 D191 I194 G216 E217 K289 R293
Binding residue
(residue number reindexed from 1)		I170 D171 K172 F173 K174 N177 D186 I189 G211 E212 K284 R288
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0046872 metal ion binding
GO:0052621 diguanylate cyclase activity
Biological Process
GO:0000160 phosphorelay signal transduction system
GO:0043709 cell adhesion involved in single-species biofilm formation
GO:1902201 negative regulation of bacterial-type flagellum-dependent cell motility
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6zxc, PDBe:6zxc, PDBj:6zxc
PDBsum6zxc
PubMed33846343
UniProtB0SUI1

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