Structure of PDB 4ag0 Chain A Binding Site BS02

Receptor Information
>4ag0 Chain A (length=250) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QRGDVIAILQQALETNSFRLLFQPVISLRGDSHENYEVLLRLLNPQGQEV
PPAEFLHAAKEAGLAEKIDRWVILNSIKLLAEHRAKGHQTKLFVHLSSAS
LQDPGLLPWLGVALKAARLPPESLVFQISEADATSYLKQAKQLTQGLATL
HCQAAISQFGCSLNPFNALKHLTVQFIKIDGSFVQDLNQVENQEILKGLI
AELHEQQKLSIVPFVESASVLATLWQAGATYIQGYYLQGPSQAMDYDFSS
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4ag0 Chain A Residue 804 [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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PDB4ag0 Crystal Structure of an Eal Domain in Complex with Reaction Product 5'-Pgpg
Resolution2.304 Å
Binding residue
(original residue number in PDB)		H533 L534 Q565 S567
Binding residue
(residue number reindexed from 1)		H95 L96 Q127 S129
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.52: cyclic-guanylate-specific phosphodiesterase.
External links