Structure of PDB 8wcn Chain A Binding Site BS02

Receptor Information
>8wcn Chain A (length=379) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNPYARQLRNGFRWLRFEKELENEFREFLSWNSLMQRRAAIGVAFLIWAL
FIVADWMMVDIRLHPSLFEQLLGVRLGMIGLLLVVWPAAFLPSLRKVGDA
IAPYCLLLINLAVLACDVLFEWHGVPRFTQLGATLGILAVFFPLGLAFWA
CVRLALLCLALNLAVFLLFGGEENLRTNLLNTLYNGLVVLICSFALYLQD
YAQREQFLGRRLLGMMAEQDSLTGLVNRRYYELLAQRALEQGAREEKGVA
LILVDVDDFKAYNDHYGHPAGDAALRQLGVVLRQGARRPLDIAARLGGEE
FAVLLYDSEEGNTLAIAERLRQAVEALGIEHLGSSAGPCLTISLGVAYST
SGMGLDALYREADRALYEAKDAGRNAVRV
Ligand information
Ligand IDG2P
InChIInChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-30(20,21)3-31(22,23)29-32(24,25)26/h2,4,6-7,10,17-18H,1,3H2,(H,20,21)(H,22,23)(H2,24,25,26)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
InChIKeyGXTIEXDFEKYVGY-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)C[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N
ACDLabs 10.04O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
FormulaC11 H18 N5 O13 P3
NamePHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
ChEMBLCHEMBL1232908
DrugBankDB03532
ZINCZINC000016051609
PDB chain8wcn Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wcn A c-di-GMP signaling module controls responses to iron in Pseudomonas aeruginosa.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		R26 Y210 Y214
Binding residue
(residue number reindexed from 1)		R13 Y197 Y201
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.7.65: diguanylate cyclase.
Gene Ontology
Molecular Function
GO:0016779 nucleotidyltransferase activity
GO:0052621 diguanylate cyclase activity
Biological Process
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
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8wcn, PDBe:8wcn, PDBj:8wcn
PDBsum8wcn
PubMed38424057
UniProtA0A072ZHL9

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