Structure of PDB 5mfu Chain A Binding Site BS03

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 504 [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]
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)		L41 M42 R43 R53 P54 D55 N98
Binding residue
(residue number reindexed from 1)		L37 M38 R39 R49 P50 D51 N94
Annotation score3
Enzymatic activity
Enzyme Commision number 3.1.4.52: cyclic-guanylate-specific phosphodiesterase.
External links