Target Binding Site Detail

Content Navigation (  All   None )                                      
Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T70840 Target Info
Target Name LIM domain kinase-1 (LIMK-1)
Synonyms LIMK-1; LIMK
Target Type Literature-reported Target
Gene Name LIMK1
Biochemical Class Kinase
UniProt ID
LIMK1_HUMAN
Ligand General Information  Top
Ligand Name AMP-PNP Ligand Info
Canonical SMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
InChI 1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKey PVKSNHVPLWYQGJ-KQYNXXCUSA-N
PubChem Compound ID 33113
Drug Binding Sites of Target  Top
PDB ID: 5HVJ      Crystal structure of LIMK1 D460N mutant in complex with AMP-PNP
Method X-ray diffraction Resolution 2.20 Å Mutation Yes [1]
PDB Sequence
RPHRIFRPSD
338
LIHGEVLGKG
348
CFGQAIKVTH
358
RETGEVMVMK
368
ELIRFDEETQ
378

RTFLKEVKVM
388
RCLEHPNVLK
398
FIGVLYKDKR
408
LNFITEYIKG
418
GTLRGIIKSM
428

DSQYPWSQRV
438
SFAKDIASGM
448
AYLHSMNIIH
458
RNLNSHNCLV
468
RENKNVVVAD
478

FGLARLMTVV
510
GNPYWMAPEM
520
INGRSYDEKV
530
DVFSFGIVLC
540
EIIGRVNADP
550

DYLPRTMDFG
560
LNVRGFLDRY
570
CPPNCPPSFF
580
PITVRCCDLD
590
PEKRPSFVKL
600

EHWLETLRMH
610
LAGHLPLGPQ
620
LEQLDRGFWE
630
TYR
Residue
Distance (Å)
LEU345
3.878
GLY346
3.719
ALA353
3.753
VAL366
4.036
LYS368
4.852
LEU397
4.013
THR413
4.393
Residue
Distance (Å)
GLU414
3.256
TYR415
4.204
ILE416
3.396
THR420
3.430
HIS464
4.252
LEU467
3.607
PDB ID: 5HVK      Crystal structure of LIMK1 mutant D460N in complex with full-length cofilin-1
Method X-ray diffraction Resolution 3.50 Å Mutation Yes [1]
PDB Sequence
GAMGSRPHRI
333
FRPSDLIHGE
343
VLGKGCFGQA
353
IKVTHRETGE
363
VMVMKELIRF
373

DEETQRTFLK
383
EVKVMRCLEH
393
PNVLKFIGVL
403
YKDKRLNFIT
413
EYIKGGTLRG
423

IIKSMDSQYP
433
WSQRVSFAKD
443
IASGMAYLHS
453
MNIIHRNLNS
463
HNCLVRENKN
473

VVVADFGLAR
483
LMVDPDRKKR
506
YVVGNPYWMA
517
PEMINGRSYD
527
EKVDVFSFGI
537

VLCEIIGRVN
547
ADPDYLPRTM
557
DFGLNVRGFL
567
DRYCPPNCPP
577
SFFPITVRCC
587

DLDPEKRPSF
597
VKLEHWLETL
607
RMHLAGHLPL
617
GPQLEQLDRG
627
FWETYRR
Residue
Distance (Å)
LEU345
3.350
GLY346
4.161
LYS347
4.228
GLY348
3.990
CYS349
3.440
GLY351
3.356
GLN352
4.605
ALA353
4.224
VAL366
3.423
LYS368
3.475
Residue
Distance (Å)
LEU397
3.567
THR413
3.112
GLU414
2.881
TYR415
3.987
ILE416
3.169
THR420
3.467
HIS464
3.885
ASN465
3.398
LEU467
3.466
ASP478
3.649
References  Top
REF 1 Structural Basis for Noncanonical Substrate Recognition of Cofilin/ADF Proteins by LIM Kinases. Mol Cell. 2016 May 5;62(3):397-408.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.