Structure of PDB 3rpl Chain A Binding Site BS04

Receptor Information
>3rpl Chain A (length=347) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSVDSTLGLEIIEVVEQAAIASAKWMGKGEKNTADQVAVEAMRERMNKIH
MRGRIVIGEGERDDAPMLYIGEEVGICTREDAKSFCNPDELVEIDIAVDP
CEGTNLVAYGQNGSMAVLAISEKGGLFAAPDFYMKKLAAPPAAKGHVDID
KSATENLKILSDCLNRSIEELVVVVMDRPRHKELIQEIRNAGARVRLISD
GDVSAAISCAFSGTNIHALMGIGAAPEGVISAAAMRCLGGHFQGQLIYDP
EVVKTGLIGESREGNLERLASMGIKNPDQVYNCEELACGETVLFAACGIT
PGTLMEGVRFFHGGVRTQSLVISSQSSTARFVDTVHMKESPKVIQLH
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain3rpl Chain A Residue 349 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rpl New insights into the structural and interactional basis for a promising route towards fructose-1,6-/sedoheptulose-1,7-bisphosphatases controlling
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R307 F309 R314 V341 Q343 H345
Binding residue
(residue number reindexed from 1)		R309 F311 R316 V343 Q345 H347
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.11: fructose-bisphosphatase.
3.1.3.37: sedoheptulose-bisphosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
GO:0046872 metal ion binding
GO:0050278 sedoheptulose-bisphosphatase activity
Biological Process
GO:0006071 glycerol metabolic process
GO:0006094 gluconeogenesis
GO:0019253 reductive pentose-phosphate cycle
GO:0030388 fructose 1,6-bisphosphate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3rpl, PDBe:3rpl, PDBj:3rpl
PDBsum3rpl
PubMed
UniProtP73922|FBSB_SYNY3 D-fructose 1,6-bisphosphatase class 2/sedoheptulose 1,7-bisphosphatase (Gene Name=slr2094)

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