Structure of PDB 3qpw Chain A Binding Site BS01

Receptor Information
>3qpw Chain A (length=431) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELTQSRVQKIWVPVDHRPSLPRSNSPTVIVMVGLPARGKTYISKKLTRYL
NWIGVPTKVFNVGEYRREAVKQYSSYNFFRPDNEEAMKVRKQCALAALRD
VKSYLAKEGGQIAVFDATNTTRERRHMILHFAKENDFKAFFIESVCDDPT
VVASNIMEVKISSPDYKDCNSAEAMDDFMKRISCYEASYQPLDPDKCDRD
LSLIKVIDVGRRFLVNRVQDHIQSRIVYYLMNIHVQPRTIYLCRHGENEH
NLQGRIGGDSGLSSRGKKFASALSKFVEEQNLKDLRVWTSQLKSTIQTAE
ALRLPYEQWKALNEIDAGVCEELTYEEIRDTYPEEYALREQDKYYYRYPT
GESYQDLVQRLEPVIMELERQENVLVICHQAVLRCLLAYFLDKSAEEMPY
LKCPLHTVLKLTPVAYGCRVESIYLNVESVC
Ligand information
Ligand IDALF
InChIInChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4
InChIKeyUYOMQIYKOOHAMK-UHFFFAOYSA-J
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		F[Al-](F)(F)F
FormulaAl F4
NameTETRAFLUOROALUMINATE ION
ChEMBL
DrugBankDB04444
ZINC
PDB chain3qpw Chain A Residue 762 [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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PDB3qpw Molecular basis of the fructose-2,6-bisphosphatase reaction of PFKFB3: Transition state and the C-terminal function.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		R252 H253 H387 Q388
Binding residue
(residue number reindexed from 1)		R244 H245 H379 Q380
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R252 H253 N259 S302 E322 H387
Catalytic site (residue number reindexed from 1) R244 H245 N251 S294 E314 H379
Enzyme Commision number 2.7.1.105: 6-phosphofructo-2-kinase.
3.1.3.46: fructose-2,6-bisphosphate 2-phosphatase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003873 6-phosphofructo-2-kinase activity
GO:0004331 fructose-2,6-bisphosphate 2-phosphatase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006000 fructose metabolic process
GO:0006003 fructose 2,6-bisphosphate metabolic process
GO:0006096 glycolytic process
GO:0006915 apoptotic process
GO:0010001 glial cell differentiation
GO:0016310 phosphorylation
GO:0046835 carbohydrate phosphorylation
GO:0061744 motor behavior
Cellular Component
GO:0005654 nucleoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3qpw, PDBe:3qpw, PDBj:3qpw
PDBsum3qpw
PubMed22275052
UniProtQ16875|F263_HUMAN 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Gene Name=PFKFB3)

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