Structure of PDB 6kg2 Chain A

Receptor sequence
>6kg2A (length=293) Species: 9606 (Homo sapiens) [Search protein sequence]
EAVVISGRKLAQQIKQEVRQEVEEWVASGNKRPHLSVILVGENPASHSYV
LNKTRAAAVVGINSETIMKPASISEEELLNLINKLNNDDNVDGLLVQLPL
PEHIDERRICNAVSPDKDVDGFHVINVGRMCLDQYSMLPATPWGVWEIIK
RTGIPTLGKNVVVAGRSKNVGMPIAMLLHTDGAHERPGGDATVTISHRYT
PKEQLKKHTILADIVISAAGIPNLITADMIKEGAAVIDVGINRVHKPKLV
GDVDFEGVRQKAGYITPVPGGVGPMTVAMLMKNTIIAAKKVLR
3D structure
PDB6kg2 Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.
ChainA
Resolution2.25 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 1.5.1.15: methylenetetrahydrofolate dehydrogenase (NAD(+)).
3.5.4.9: methenyltetrahydrofolate cyclohydrolase.
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 D8C A Y84 N87 K88 Q132 L133 P309 G310 G313 P314 V317 Y49 N52 K53 Q97 L98 P269 G270 G273 P274 V277 MOAD: ic50=0.048uM
BindingDB: IC50=48nM
BS02 NAD A T176 G200 R201 S202 V205 H232 R233 A253 A254 G255 I256 V274 G275 I276 G313 T316 T141 G165 R166 S167 V170 H197 R198 A218 A219 G220 I221 V239 G240 I241 G273 T276
BS03 PO4 A R201 R233 R166 R198
BS04 PO4 A D216 H219 D181 H184
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004488 methylenetetrahydrofolate dehydrogenase (NADP+) activity

View graph for
Molecular Function
External links
PDB RCSB:6kg2, PDBe:6kg2, PDBj:6kg2
PDBsum6kg2
PubMed31638799
UniProtP13995|MTDC_HUMAN Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Gene Name=MTHFD2)

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