Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T33931 Target Info
Target Name Lethal(3)malignant brain tumor-like 3 (L3MBTL3)
Synonyms MBT1; MBT-1; Lethal(3)malignant brain tumor-like protein 3; L(3)mbt-like protein 3; KIAA1798; H-l(3)mbt-like protein 3
Target Type Literature-reported Target
Gene Name L3MBTL3
UniProt ID
LMBL3_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: UNC1215 Ligand Info
Structure Description Crystal structure of the complex of the 3-MBT repeat domain of L3MBTL3 and UNC1215 PDB:4FL6
Method X-ray diffraction Resolution 2.55 Å Mutation No [1]
PDB Sequence
AWCWASYLEE
240
EKAVAVPAKL
250
FKEHQSFPYN
260
KNGFKVGMKL
270
EGVDPEHQSV
280

YCVLTVAEVC
290
GYRIKLHFDG
300
YSDCYDFWVN
310
ADALDIHPVG
320
WCEKTGHKLH
330

PPKGYKEEEF
340
NWQTYLKTCK
350
AQAAPKSLFE
360
VIPSGFRVGM
375
KLEAVDKKNP
385

SFICVATVTD
395
MVDNRFLVHF
405
DNWDESYDYW
415
CEASSPHIHP
425
VGWCKEHRRT
435

LITPPGYPNV
445
KHFSWDKYLE
455
ETNSLPAPAR
465
AFKVKPPHGF
475
QKKMKLEVVD
485

KRNPMFIRVA
495
TVADTDDHRV
505
KVHFDGWNNC
515
YDYWIDADSP
525
DIHPVGWCSK
535

TGHPLQPPL
Residue
Distance (Å)
ASP274
3.015
HIS277
3.235
SER279
4.112
VAL280
3.893
CYS282
4.512
PHE298
3.631
TYR301
3.603
TYR305
3.476
HIS330
3.460
ASP381
2.625
Residue
Distance (Å)
ASN384
3.180
PHE387
3.499
CYS389
3.415
PHE405
3.400
TRP408
3.544
ASP409
3.540
GLU410
3.283
SER411
3.457
TYR412
3.528
ILE437
4.968
Ligand Name: 4-(Pyrrolidin-1-Yl)-1-{4-[2-(Pyrrolidin-1-Yl)ethyl]phenyl}piperidine Ligand Info
Structure Description Crystal structure of the 3-MBT repeat domain of L3MBTL3 and UNC2533 complex PDB:4L59
Method X-ray diffraction Resolution 2.29 Å Mutation No [2]
PDB Sequence
WCWASYLEEE
241
KAVAVPAKLF
251
KEHQSFPYNK
261
NGFKVGMKLE
271
GVDPEHQSVY
281

CVLTVAEVCG
291
YRIKLHFDGY
301
SDCYDFWVNA
311
DALDIHPVGW
321
CEKTGHKLHP
331

PKGYKEEEFN
341
WQTYLKTCKA
351
QAAPKSLFEV
366
IPSGFRVGMK
376
LEAVDKKNPS
386

FICVATVTDM
396
VDNRFLVHFD
406
NWDESYDYWC
416
EASSPHIHPV
426
GWCKEHRRTL
436

ITPPGYNVKH
447
FSWDKYLEET
457
NSLPAPARAF
467
KVKPPHGFQK
477
KMKLEVVDKR
487

NPMFIRVATV
497
ADTDDHRVKV
507
HFDGWNNCYD
517
YWIDADSPDI
527
HPVGWCSKTG
537

HPLQPPL
Residue
Distance (Å)
ASP274
2.809
HIS277
3.586
VAL280
4.036
CYS282
3.932
PHE298
3.580
Residue
Distance (Å)
TYR301
3.734
TYR305
3.558
HIS330
4.108
GLU410
4.523
References  Top
REF 1 Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain. Nat Chem Biol. 2013 Mar;9(3):184-91.
REF 2 The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface. Medchemcomm. 2013 Nov;4(11):1501-1507.

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