Structure of PDB 5mfu Chain A Binding Site BS02

Receptor Information
>5mfu Chain A (length=254) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASPSSELRRALEANEFIPYYQPLSPGQGGRWIGVEVLMRWRHPREGLIRP
DLFIPFAERSGLIVPMTRALMRQVAEDLGGHAGKLEPGFHIGFNISATHC
HELALVDDCRELLAAFPPGHITLVLELTERELIESSEVTDRLFDELHALG
VKIAIDDFGTGHSSLAYLRKFQVDCLKIDQSFVARIGIDTLSGHILDSIV
ELSAKLDLDIVAEGVETPEQRDYLAARGVDYLQGYLIGRPMPLESLLSSL
TVQE
Ligand information
Ligand IDG
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain5mfu Chain A Residue 503 [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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PDB5mfu Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		Q25 D160 D161 Q184 E217 G218 E220 G238 Y239
Binding residue
(residue number reindexed from 1)		Q21 D156 D157 Q180 E213 G214 E216 G234 Y235
Annotation score3
Enzymatic activity
Enzyme Commision number 3.1.4.52: cyclic-guanylate-specific phosphodiesterase.
External links