Structure of PDB 6jib Chain A

Receptor sequence
>6jibA (length=293) Species: 9606 (Homo sapiens) [Search protein sequence]
EAVVISGRKLAQQIKQEVRQEVEEWVASGNKRPHLSVILVGENPASHSYV
LNKTRAAAVVGINSETIMKPASISEEELLNLINKLNNDDNVDGLLVQLPL
PEHIDERRICNAVSPDKDVDGFHVINVGRMCLDQYSMLPATPWGVWEIIK
RTGIPTLGKNVVVAGRSKNVGMPIAMLLHTDGAHERPGGDATVTISHRYT
PKEQLKKHTILADIVISAAGIPNLITADMIKEGAAVIDVGINRVHKPKLV
GDVDFEGVRQKAGYITPVPGGVGPMTVAMLMKNTIIAAKKVLR
3D structure
PDB6jib Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
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 BQF A Y84 N87 K88 Q132 P309 G310 G313 P314 V317 Y49 N52 K53 Q97 P269 G270 G273 P274 V277 MOAD: ic50=1.6uM
PDBbind-CN: -logKd/Ki=5.80,IC50=1.6uM
BindingDB: IC50=1600nM
BS02 BQF A G200 S231 H232 R233 T235 K237 L240 A254 I256 L259 G165 S196 H197 R198 T200 K202 L205 A219 I221 L224 MOAD: ic50=1.6uM
PDBbind-CN: -logKd/Ki=5.80,IC50=1.6uM
BindingDB: IC50=1600nM
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004488 methylenetetrahydrofolate dehydrogenase (NADP+) activity

View graph for
Molecular Function
External links
PDB RCSB:6jib, PDBe:6jib, PDBj:6jib
PDBsum6jib
PubMed31223444
UniProtP13995|MTDC_HUMAN Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Gene Name=MTHFD2)

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