Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T83009 Target Info
Target Name Tyrosine-protein kinase ABL2 (ABL2)
Synonyms Tyrosine-protein kinase ARG; Abelson-related gene protein; Abelson tyrosine-protein kinase 2; Abelson murine leukemia viral oncogene homolog 2; ARG; ABLL
Target Type Literature-reported Target
Gene Name ABL2
Biochemical Class Kinase
UniProt ID
ABL2_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Imatinib Ligand Info
Structure Description The crystal structure of human ABL2 in complex with GLEEVEC PDB:3GVU
Method X-ray diffraction Resolution 2.05 Å Mutation No [1]
PDB Sequence
GTENLYFQSM
278
DKWEMERTDI
288
TMKHKLGGGQ
298
YGEVYVGVWK
308
KYSLTVAVKT
318

LKEDTMEVEE
328
FLKEAAVMKE
338
IKHPNLVQLL
348
GVCTLEPPFY
358
IVTEYMPYGN
368

LLDYLRECNR
378
EEVTAVVLLY
388
MATQISSAME
398
YLEKKNFIHR
408
DLAARNCLVG
418

ENHVVKVADF
428
GLSRGDTYTA
441
KFPIKWTAPE
455
SLAYNTFSIK
465
SDVWAFGVLL
475

WEIATYGMSP
485
YPGIDLSQVY
495
DLLEKGYRME
505
QPEGCPPKVY
515
ELMRACWKWS
525

PADRPSFAET
535
HQAFETMFHD
545
S
Residue
Distance (Å)
LEU294
3.911
TYR299
3.712
VAL302
3.662
ALA315
3.595
VAL316
3.953
LYS317
3.503
GLU332
2.911
VAL335
3.910
MET336
3.372
ILE339
3.745
LEU344
4.887
VAL345
3.335
ILE359
3.684
THR361
3.050
GLU362
4.375
TYR363
3.622
MET364
2.889
GLY367
4.055
ARG378
4.948
ALA383
3.006
VAL384
3.450
LEU386
3.708
Residue
Distance (Å)
LEU387
3.635
PHE405
4.224
ILE406
2.745
HIS407
3.204
ARG408
4.442
LEU416
3.779
VAL425
4.791
ALA426
3.409
ASP427
2.838
PHE428
3.376
LEU475
4.692
ILE478
4.967
ALA479
3.715
TYR481
3.929
GLU508
3.583
GLY509
3.570
CYS510
4.417
PRO511
3.685
VAL514
3.486
MET542
3.764
PHE543
4.131
SER546
4.153
Ligand Name: VX-680 Ligand Info
Structure Description HUMAN ABL2 IN COMPLEX WITH AURORA KINASE INHIBITOR VX-680 PDB:2XYN
Method X-ray diffraction Resolution 2.81 Å Mutation No [2]
PDB Sequence
KWEMERTDIT
289
MKHKLGGGQY
299
GEVYVGVWKK
309
YSLTVAVKTL
319
DTMEVEEFLK
331

EAAVMKEIKH
341
PNLVQLLGVC
351
TLEPPFYIVT
361
EYMPYGNLLD
371
YLRECNREEV
381

TAVVLLYMAT
391
QISSAMEYLE
401
KKNFIHRDLA
411
ARNCLVGENH
421
VVKVADFGLS
431

RLMTGDTYTA
441
HAGAKFPIKW
451
TAPESLAYNT
461
FSIKSDVWAF
471
GVLLWEIATY
481

GMSPYPGIDL
491
SQVYDLLEKG
501
YRMEQPEGCP
511
PKVYELMRAC
521
WKWSPADRPS
531

FAETHQAFET
541
MFHD
Residue
Distance (Å)
LEU294
3.724
GLY295
4.337
TYR299
3.556
VAL302
3.204
ALA315
3.584
LYS317
3.689
GLU332
4.354
MET336
3.782
VAL345
4.116
ILE359
4.255
THR361
3.345
Residue
Distance (Å)
GLU362
3.024
TYR363
3.482
MET364
2.730
PRO365
3.390
TYR366
3.726
GLY367
3.429
ASN368
4.764
LEU416
3.387
ALA426
4.903
ASP427
2.506
PHE428
4.601
Ligand Name: Cdk1/2 inhibitor III Ligand Info
Structure Description The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE PDB:3HMI
Method X-ray diffraction Resolution 1.65 Å Mutation No [3]
PDB Sequence
DKWEMERTDI
288
TMKHKLGGGQ
298
YGEVYVGVWK
308
KYSLTVAVKT
318
LKEDTMEVEE
328

FLKEAAVMKE
338
IKHPNLVQLL
348
GVCTLEPPFY
358
IVTEYMPYGN
368
LLDYLRECNR
378

EEVTAVVLLY
388
MATQISSAME
398
YLEKKNFIHR
408
DLAARNCLVG
418
ENHVVKVADF
428

GLSRLMTGDT
438
YTAHAGAKFP
448
IKWTAPESLA
458
YNTFSIKSDV
468
WAFGVLLWEI
478

ATYGMSPYPG
488
IDLSQVYDLL
498
EKGYRMEQPE
508
GCPPKVYELM
518
RACWKWSPAD
528

RPSFAETHQA
538
FETMFHDS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DKI or .DKI2 or .DKI3 or :3DKI;style chemicals stick;color identity;select .A:294 or .A:295 or .A:296 or .A:298 or .A:299 or .A:302 or .A:315 or .A:345 or .A:361 or .A:362 or .A:363 or .A:364 or .A:365 or .A:367 or .A:368 or .A:371 or .A:413 or .A:414 or .A:415 or .A:416 or .A:426 or .A:428; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU294
3.556
GLY295
3.319
GLY296
4.718
GLN298
3.449
TYR299
3.296
VAL302
3.424
ALA315
4.081
VAL345
3.774
THR361
3.751
GLU362
2.964
TYR363
3.491
Residue
Distance (Å)
MET364
2.923
PRO365
4.694
GLY367
3.594
ASN368
4.236
ASP371
4.229
ARG413
3.680
ASN414
3.293
CYS415
4.541
LEU416
3.350
ALA426
3.384
PHE428
3.431
References  Top
REF 1 The crystal structure of human ABL2 in complex with GLEEVEC
REF 2 Crystal structures of ABL-related gene (ABL2) in complex with imatinib, tozasertib (VX-680), and a type I inhibitor of the triazole carbothioamide class. J Med Chem. 2011 Apr 14;54(7):2359-67.
REF 3 The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE

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