Structure of PDB 6ibz Chain A

Receptor sequence
>6ibzA (length=431) Species: 9606 (Homo sapiens) [Search protein sequence]
ELTQSRVQKIWVPVDHNSPTVIVMVGLPARGKTYISKKLTRYLNWIGVPT
KVFNVGEYRREAVKQYSSYNFFRPDNEEAMKVRKQCALAALRDVKSYLAK
EGGQIAVFDATNTTRERRHMILHFAKENDFKAFFIESVCDDPTVVASNIM
EVKISSPDYKDCNSAEAMDDFMKRISCYEASYQPLDPDKCDRDLSLIKVI
DVGRRFLVNRVQDHIQSRIVYYLMNIHVQPRTIYLCRHGENEHNLQGRIG
GDSGLSSRGKKFASALSKFVEEQNLKDLRVWTSQLKSTIQTAEALRLPYE
QWKALNEIDAGVCEELTYEEIRDTYPEEYALREQDKYYYRYPTGESYQDL
VQRLEPVIMELERQENVLVICHQAVLRCLLAYFLDKSAEEMPYLKCPLHT
VLKLTPVAYGCRVESIYLNVESVCTHRERSE
3D structure
PDB6ibz Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
ChainA
Resolution2.44 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 PO4 A P43 A44 R45 G46 K47 T48 K168 P28 A29 R30 G31 K32 T33 K153
BS02 HAW A R45 Y49 I50 S152 C154 V159 N163 V167 V214 V217 I241 V243 R30 Y34 I35 S137 C139 V144 N148 V152 V199 V202 I226 V228 MOAD: ic50=22nM
PDBbind-CN: -logKd/Ki=7.66,IC50=22nM
BindingDB: IC50=22nM
BS03 F6P A G265 E322 Y333 R347 K351 Y362 Q388 R392 G250 E307 Y318 R332 K336 Y347 Q373 R377
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:6ibz, PDBe:6ibz, PDBj:6ibz
PDBsum6ibz
PubMed30626557
UniProtQ16875|F263_HUMAN 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Gene Name=PFKFB3)

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