Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T41119 Target Info
Target Name Early response protein NAK1 (NR4A1)
Synonyms Testicular receptor 3; ST-59; Orphan nuclear receptor TR3; Orphan nuclear receptor HMR; Nur77; Nuclear receptor subfamily 4 group A member 1; Nuclear hormone receptor NUR/77; NAK1; GFRP1
Target Type Literature-reported Target
Gene Name NR4A1
Biochemical Class Nuclear hormone receptor
UniProt ID
NR4A1_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Ethyl (2,3,4-Trimethoxy-6-Octanoylphenyl)acetate Ligand Info
Structure Description Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate PDB:3V3Q
Method X-ray diffraction Resolution 2.22 Å Mutation No [1]
PDB Sequence
DAPANLLTSL
37
VRAHLDSGPS
47
TAKLDYSKFQ
57
ELVLPHFGKE
67
DAGDVQQFYD
77

LLSGSLEVIR
87
KWAEKIPGFA
97
ELSPADQDLL
107
LESAFLELFI
117
LRLAYRSKPG
127

EGKLIFCSGL
137
VLHRLQCARG
147
FGDWIDSILA
157
FSRSLHSLLV
167
DVPAFACLSA
177

LVLITDRHGL
187
QEPRRVEELQ
197
NRIASCLKEH
207
VAAVAPASCL
221
SRLLGKLPEL
231

RTLCTQGLQR
241
IFYLKLEDLV
251
PPPPIIDKIF
261
MDTLPFL
Residue
Distance (Å)
HIS41
3.303
LEU42
3.409
GLY45
4.819
PRO46
2.792
LEU51
4.940
GLU109
2.853
SER110
2.855
ALA111
3.330
PHE112
3.270
LEU113
2.398
GLU114
2.644
LEU115
4.982
ARG119
4.454
TYR122
2.795
ARG123
2.658
LYS125
2.811
ILE132
4.990
LEU162
2.895
Residue
Distance (Å)
HIS163
3.181
SER164
4.959
LEU165
4.216
LEU166
3.479
VAL167
2.779
VAL169
3.401
ARG184
4.142
LEU231
4.481
ARG232
3.024
THR233
4.896
CYS235
2.705
THR236
3.290
LEU239
3.193
ILE260
3.040
PHE261
3.943
ASP263
4.768
THR264
2.212
Ligand Name: 1-(3,4,5-Trihydroxyphenyl)nonan-1-one Ligand Info
Structure Description Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN PDB:4JGV
Method X-ray diffraction Resolution 3.01 Å Mutation No [2]
PDB Sequence
ANLLTSLVRA
371
HLDSGPSTAK
381
LDYSKFQELV
391
LPHFGKEDAG
401
DVQQFYDLLS
411

GSLEVIRKWA
421
EKIPGFAELS
431
PADQDLLLES
441
AFLELFILRL
451
AYRSKPGEGK
461

LIFCSGLVLH
471
RLQCARGFGD
481
WIDSILAFSR
491
SLHSLLVDVP
501
AFACLSALVL
511

ITDRHGLQEP
521
RRVEELQNRI
531
ASCLKEHVAA
541
VAEPPALSRL
555
LGKLPELRTL
565

CTQGLQRIFY
575
LKLEDLVPPP
585
PIIDKIFMDT
595
LPF
Residue
Distance (Å)
GLU445
4.741
LEU449
4.472
PHE489
4.091
LEU493
3.721
LEU496
4.917
LEU506
3.816
LEU509
2.410
VAL510
3.443
ILE512
3.337
Residue
Distance (Å)
THR513
2.491
ASP514
4.577
GLN528
2.764
LEU555
3.294
LEU556
3.852
LYS558
3.693
LEU559
3.877
LEU562
4.141
References  Top
REF 1 The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK. Nat Chem Biol. 2012 Nov;8(11):897-904.
REF 2 Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat Chem Biol. 2014 Feb;10(2):133-40.

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