6MNH: ULK1 Unc-51 like autophagy activating kinase

ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC. Determined by X-ray diffraction at 1.73 Å resolution. Released 27 Mar 2019.

Method: X-ray diffraction
Resolution: 1.73 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,412
Mol. weight: 32.94 kDa
Ligands: JVD
Released: 27 Mar 2019

Explore 6MNH in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6MNH contains 14 α-helices and 13 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 14 helices, 13 β-strands

Element	Residues	Length	Sheet
β-strand	9-11	3	1
β-strand	14-25	12	1
β-strand	28-35	8	1
β-strand	42-47	6	1
α-helix	50-52	3
α-helix	53-67	15
β-strand	72	1	2
β-strand	75	1	2
β-strand	78-83	6	1
β-strand	88-93	6	1
β-strand	99	1	2
α-helix	100-107	8
α-helix	112-132	21
β-strand	134-135	2	3
α-helix	141-143	3
β-strand	144-147	4	2
β-strand	160-163	4	2
β-strand	170-171	2	3
α-helix	185-187	3
α-helix	190-193	4
α-helix	201-216	16
α-helix	226-235	10
α-helix	249-258	10
α-helix	263-265	3
α-helix	269-273	5
α-helix	276-278	3
α-helix	286-289	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Serine/threonine-protein kinase ULK1	A	protein	287	Homo sapiens	O75385 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6MNH_1 Serine/threonine-protein kinase ULK1 (chains A)
SLGGTETVGKFEFSRKDLIGHGAFAVVFKGRHREKHDLEVAVKCINKKNLAKSQTLLGKE
IKILKELKHENIVALYDFQEMANSVYLVMEYCNGGDLADYLHAMRTLSEDTIRLFLQQIA
GAMRLLHSKGIIHRDLKPQNILLSNPAGRRANPNSIRVKIADFGFARYLQSNMMAATLCG
SPMYMAPEVIMAQHYDGKADLWSIGTIVYQCLTGKAPFQAASPQDLRLFYEKNKTLVPTI
PRETSAPLRQLLLALLQRNHKDRMDFDEFFHHPFLDASPSVRKSPPV

Ligands and cofactors

ID	Name	Formula	Copies
JVD	N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide	C12 H16 N4 O	1

Water and common crystallization additives (CL, DMS) are not listed.

Primary citation

Idea2Data: Toward a New Paradigm for Drug Discovery. Nicolaou, C.A., Humblet, C., Hu, H. et al. ACS Med Chem Lett (2019) 10:278-286. DOI 10.1021/acsmedchemlett.8b00488 · PubMed

Other PDB entries of the same protein (UniProt O75385 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6HYO 1.07 Å, Structure of ULK1 LIR motif bound to GABARAP
4WNO 1.56 Å, Structure of ULK1 bound to an inhibitor
5CI7 1.74 Å, Structure of ULK1 bound to a selective inhibitor
6QAS 1.75 Å, Crystal structure of ULK1 in complexed with PF-03814735
8P5I 1.83 Å, Kinase domain of mutant human ULK1 in complex with compound XMD-17-51
8P5L 1.84 Å, Kinase domain of mutant human ULK1 in complex with compound MRT67307
4WNP 1.88 Å, Structure of ULK1 bound to a potent inhibitor
8P5H 1.94 Å, Kinase domain of mutant human ULK1 in complex with compound CCT241533
9SE8 2.0 Å, Crystal structure of ULK1 in complex with inhibitor SBP-5147
8P5G 2.02 Å, Kinase domain of wild type human ULK1 in complex with compound CCT241533
9F32 2.1 Å, Crystal structure of ULK1 with a covalent compound GCL 99
8P5J 2.16 Å, Kinase domain of mutant human ULK1 in complex with compound WZ4003

Browse structure collections

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