Structure of PDB 6hvh Chain A

Receptor sequence
>6hvhA (length=431) Species: 9606 (Homo sapiens) [Search protein sequence]
ELTQSRVQKIWVPVDHNSPTVIVMVGLPARGKTYISKKLTRYLNWIGVPT
KVFNVGEYRREAVKQYSSYNFFRPDNEEAMKVRKQCALAALRDVKSYLAK
EGGQIAVFDATNTTRERRHMILHFAKENDFKAFFIESVCDDPTVVASNIM
EVKISSPDYKDCNSAEAMDDFMKRISCYEASYQPLDPDKCDRDLSLIKVI
DVGRRFLVNRVQDHIQSRIVYYLMNIHVQPRTIYLCRHGENEHNLQGRIG
GDSGLSSRGKKFASALSKFVEEQNLKDLRVWTSQLKSTIQTAEALRLPYE
QWKALNEIDAGVCEELTYEEIRDTYPEEYALREQDKYYYRYPTGESYQDL
VQRLEPVIMELERQENVLVICHQAVLRCLLAYFLDKSAEEMPYLKCPLHT
VLKLTPVAYGCRVESIYLNVESVCTHRERSE
3D structure
PDB6hvh Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChainA
Resolution2.36 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) R252 H253 N259 S302 E322 H387
Catalytic site (residue number reindexed from 1) R237 H238 N244 S287 E307 H372
Enzyme Commision number 2.7.1.105: 6-phosphofructo-2-kinase.
3.1.3.46: fructose-2,6-bisphosphate 2-phosphatase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 GV2 A R45 Y49 I50 S152 C154 V159 N163 E166 V167 V214 V217 I241 V243 R30 Y34 I35 S137 C139 V144 N148 E151 V152 V199 V202 I226 V228 MOAD: ic50=0.047uM
PDBbind-CN: -logKd/Ki=7.33,IC50=0.047uM
BS02 POP A A44 R45 G46 K47 T48 Y49 K168 Y424 A29 R30 G31 K32 T33 Y34 K153 Y409
BS03 F6P A I264 G265 E322 Y333 R347 K351 Y362 Q388 R392 I249 G250 E307 Y318 R332 K336 Y347 Q373 R377
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:6hvh, PDBe:6hvh, PDBj:6hvh
PDBsum6hvh
PubMed30378281
UniProtQ16875|F263_HUMAN 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Gene Name=PFKFB3)

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