Structure of PDB 6ibx Chain A

Receptor sequence
>6ibxA (length=429) Species: 9606 (Homo sapiens) [Search protein sequence]
ELTQSRVQKIWVPVNSPTVIVMVGLPARGKTYISKKLTRYLNWIGVPTKV
FNVGEYRREAVKQYSSYNFFRPDNEEAMKVRKQCALAALRDVKSYLAKEG
GQIAVFDATNTTRERRHMILHFAKENDFKAFFIESVCDDPTVVASNIMEV
KISSPDYKDCNSAEAMDDFMKRISCYEASYQPLDPDKCDRDLSLIKVIDV
GRRFLVNRVQDHIQSRIVYYLMNIHVQPRTIYLCRHGENEHNLQGRIGGD
SGLSSRGKKFASALSKFVEEQNLKDLRVWTSQLKSTIQTAEALRLPYEQW
KALNEIDAGVCEELTYEEIRDTYPEEYALREQDKYYYRYPTGESYQDLVQ
RLEPVIMELERQENVLVICHQAVLRCLLAYFLDKSAEEMPYLKCPLHTVL
KLTPVAYGCRVESIYLNVESVCTHRERSE
3D structure
PDB6ibx Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
ChainA
Resolution2.11 Å
3D
structure
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Enzymatic activity
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 H9Z A R45 Y49 I50 S152 C154 V159 N163 E166 V167 V214 I241 R28 Y32 I33 S135 C137 V142 N146 E149 V150 V197 I224 MOAD: ic50=2nM
PDBbind-CN: -logKd/Ki=8.70,IC50=2nM
BindingDB: IC50=2.0nM
BS02 POP A A44 R45 G46 K47 T48 Y49 K168 Y424 A27 R28 G29 K30 T31 Y32 K151 Y407
BS03 F6P A G265 E322 Y333 R347 K351 Y362 Q388 R392 G248 E305 Y316 R330 K334 Y345 Q371 R375
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003873 6-phosphofructo-2-kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006000 fructose metabolic process
GO:0006003 fructose 2,6-bisphosphate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6ibx, PDBe:6ibx, PDBj:6ibx
PDBsum6ibx
PubMed30626557
UniProtQ16875|F263_HUMAN 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Gene Name=PFKFB3)

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