Structure of PDB 6iby Chain A

Receptor sequence
>6ibyA (length=428) Species: 9606 (Homo sapiens) [Search protein sequence]
ELTQSRVQKIWVPNSPTVIVMVGLPARGKTYISKKLTRYLNWIGVPTKVF
NVGEYRREAVKQYSSYNFFRPDNEEAMKVRKQCALAALRDVKSYLAKEGG
QIAVFDATNTTRERRHMILHFAKENDFKAFFIESVCDDPTVVASNIMEVK
ISSPDYKDCNSAEAMDDFMKRISCYEASYQPLDPDKCDRDLSLIKVIDVG
RRFLVNRVQDHIQSRIVYYLMNIHVQPRTIYLCRHGENEHNLQGRIGGDS
GLSSRGKKFASALSKFVEEQNLKDLRVWTSQLKSTIQTAEALRLPYEQWK
ALNEIDAGVCEELTYEEIRDTYPEEYALREQDKYYYRYPTGESYQDLVQR
LEPVIMELERQENVLVICHQAVLRCLLAYFLDKSAEEMPYLKCPLHTVLK
LTPVAYGCRVESIYLNVESVCTHRERSE
3D structure
PDB6iby Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
ChainA
Resolution2.51 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 HAT A R45 Y49 I50 S152 C154 N163 E166 V214 V217 G218 I241 R27 Y31 I32 S134 C136 N145 E148 V196 V199 G200 I223 PDBbind-CN: -logKd/Ki=7.82,IC50=15nM
BindingDB: IC50=8280nM
BS02 POP A P43 A44 R45 G46 K47 T48 Y49 K168 Y424 P25 A26 R27 G28 K29 T30 Y31 K150 Y406
BS03 F6P A G265 E322 Y333 R347 K351 Y362 Q388 R392 G247 E304 Y315 R329 K333 Y344 Q370 R374
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:6iby, PDBe:6iby, PDBj:6iby
PDBsum6iby
PubMed30626557
UniProtQ16875|F263_HUMAN 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Gene Name=PFKFB3)

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