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 T79307 Target Info
Target Name Serine/threonine-protein kinase ULK1 (ULK1)
Synonyms hATG1; Unc-51-like kinase 1; KIAA0722; Autophagy-related protein 1 homolog; ATG1
Target Type Literature-reported Target
Gene Name ULK1
Biochemical Class Kinase
UniProt ID
ULK1_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: 6MNH      ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC
Method X-ray diffraction Resolution 1.73 Å Mutation Yes [1]
PDB Sequence
TETVGKFEFS
17
RKDLIGHGAF
27
AVVFKGRHRE
37
KHDLEVAVKC
47
INKKNLAKSQ
57

TLLGKEIKIL
67
KELKHENIVA
77
LYDFQEMANV
88
YLVMEYCNGG
98
DLADYLHAMR
108

TLSEDTIRLF
118
LQQIAGAMRL
128
LHSKGIIHRD
138
LKPQNILLSN
148
SIRVKIADFG
167

FARYLTLGSP
185
MYMAPEVIMA
195
QHYDGKADLW
205
SIGTIVYQCL
215
TGKAPFQAAS
225

PQDLRLFYEK
235
NKTLVPTIPR
245
ETSAPLRQLL
255
LALLQRNHKD
265
RMDFDEFFHH
275

PFLDASPSVR
285
KSPPV
Residue
Distance (Å)
ILE48
3.457
GLN57
3.643
GLN82
3.405
GLU83
3.895
MET84
2.781
Residue
Distance (Å)
ALA85
3.590
ASN86
1.342
VAL88
1.343
TYR89
3.071
PDB ID: 6QAS      Crystal structure of ULK1 in complexed with PF-03814735
Method X-ray diffraction Resolution 1.75 Å Mutation No [2]
PDB Sequence
TETVGKFEFS
17
RKDLIGHGAF
27
AVVFKGRHRA
37
AHDLEVAVKC
47
INKKNLAKSQ
57

TLLGKEIKIL
67
KELKHENIVA
77
LYDFQEMANV
88
YLVMEYCNGG
98
DLADYLHAMR
108

TLSEDTIRLF
118
LQQIAGAMRL
128
LHSKGIIHRD
138
LKPQNILLSN
148
PAGRRANPNS
158

IRVKIADFGF
168
ARYLQSNMMA
178
ALCGSPMYMA
189
PEVIMSQHYD
199
GKADLWSIGT
209

IVYQCLTGKA
219
PFQASSPQDL
229
RLFYEKNKTL
239
VPTIPRETSA
249
PLRQLLLALL
259

QRNHKDRMDF
269
DEFFHHPFLD
279
AS
Residue
Distance (Å)
ILE48
3.584
GLN57
3.832
GLN82
3.913
GLU83
3.837
MET84
2.877
Residue
Distance (Å)
ALA85
3.555
ASN86
1.342
VAL88
1.319
TYR89
2.977
References  Top
REF 1 Idea2Data: Toward a New Paradigm for Drug Discovery. ACS Med Chem Lett. 2019 Feb 4;10(3):278-286.
REF 2 Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2). Biochem J. 2019 Mar 12;476(5):875-887.

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