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 T82262 Target Info
Target Name Calmodulin-dependent kinase II (CAMKK2)
Synonyms KIAA0787; Calcium/calmodulin-dependent protein kinase kinase beta; Calcium/calmodulin-dependent protein kinase kinase 2; CaMKK beta; CaMKK 2; CaM-kinase kinase beta; CaM-kinase kinase 2; CaM-KK beta; CaM-KK 2; CAMKKB
Target Type Patented-recorded Target
Gene Name CAMKK2
Biochemical Class Kinase
UniProt ID
KKCC2_HUMAN
Ligand General Information  Top
Ligand Name L-serine-O-phosphate Ligand Info
Canonical SMILES C(C(C(=O)O)N)OP(=O)(O)O
InChI 1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKey BZQFBWGGLXLEPQ-REOHCLBHSA-N
PubChem Compound ID 68841
Drug Binding Sites of Target  Top
PDB ID: 6CMJ      Human CAMKK2 with GSK650393
Method X-ray diffraction Resolution 2.40 Å Mutation No [1]
PDB Sequence
QLDQYTLKDE
170
IGKGSYGVVK
180
LAYNENDNTY
190
YAMKVLSKKK
200
LIRQAGGCIQ
225

PRGPIEQVYQ
235
EIAILKKLDH
245
PNVVKLVEVL
255
DDPNEDHLYM
265
VFELVNQGPV
275

MEVPTLKPLS
285
EDQARFYFQD
295
LIKGIEYLHY
305
QKIIHRDIKP
315
SNLLVGEDGH
325

IKIADFGVSN
335
EFKGSDALLN
346
TVGTPAFMAP
356
ESLSETRKIF
366
SGKALDVWAM
376

GVTLYCFVFG
386
QCPFMDERIM
396
CLHKIKSQAL
407
EFPDQPDIAE
417
DLKDLITRML
427

DKNPESRIVV
437
PEIKLHPWVT
447
RHGAEPLPSE
457
DENCL
Residue
Distance (Å)
LEU343
4.494
LEU344
1.329
ASN346
1.330
THR347
4.497
LYS364
3.369
ILE365
4.578
PHE366
3.699
MET396
3.306
Residue
Distance (Å)
CYS397
3.196
LEU398
3.267
HIS399
1.329
LYS401
1.335
ILE402
3.324
LYS403
3.356
SER404
2.909
GLN405
4.125
PDB ID: 6Y4K      Crystal structure of human 14-3-3 gamma in complex with CaMKK2 14-3-3 binding motif Ser100 and Fusicoccin A
Method X-ray diffraction Resolution 3.00 Å Mutation No [2]
PDB Sequence
RKLLQER
Residue
Distance (Å)
LYS98
3.280
LEU99
1.329
Residue
Distance (Å)
LEU101
1.328
GLN102
3.254
PDB ID: 6Y6B      Crystal structure of human 14-3-3 gamma in complex with CaMKK2 14-3-3 binding motif Ser100 and 16-OMe-Fusicoccin H
Method X-ray diffraction Resolution 3.08 Å Mutation No [2]
PDB Sequence
KLLQER
Residue
Distance (Å)
LYS98
3.410
LEU99
1.329
Residue
Distance (Å)
LEU101
1.329
GLN102
2.993
References  Top
REF 1 An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model. Bioorg Med Chem Lett. 2018 Jun 1;28(10):1958-1963.
REF 2 Stabilization of Protein-Protein Interactions between CaMKK2 and 14-3-3 by Fusicoccins. ACS Chem Biol. 2020 Nov 20;15(11):3060-3071.

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